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2-Ethyl-1-hexanol

CAS 104-76-7C8H18OMW 130.14 g/mol

2-Ethyl-1-hexanol (CAS 104-76-7) — formula C8H18O, molecular weight 130.14 g/mol; category organic chemicals.

Product Overview

CAS Number104-76-7
Molecular FormulaC8H18O
Molecular Weight130.14 g/mol
Melting Point-105 °F (NTP, 1992)
Boiling Point363 to 365 °F at 760 mmHg (NTP, 1992)
LogP3.1
ApplicationsUses: Used as a plasticizer, defoaming agent, wetting agent, solvent (nitrocellulose, paints, lacquers, and baking finishes), and textile finishing compound, Also used in inks, rubber, paper, lubricants, photography, and dry cleaning, [Hawley], Pulp and Paper Processing [Category: Industry], Painting (Solvents) [Category: Paint], Dry Cleaning [Category: Clean], Photographic Processing [Category: Other], Textiles (Printing, Dyeing, or Finishing) [Category: Industry], USE A sensitive method for the extraction and determination of polycyclic aromatic hydrocarbons (PAHs) using alcoholic-assisted dispersive liquid-liquid microextraction (AA-DLLME) and HPLC was developed... The effective parameters (type and volume of extraction and dispersive solvents, amount of salt and stirring time) on the extraction recovery were studied and optimized utilizing factorial design (FD) and central composite design (CCD). The best recovery was achieved by FD using 2-ethyl-1-hexanol as the extraction solvent and methanol as the dispersive solvent... The optimized conditions were 145 uL of 2-ethyl-1-hexanol as the extraction solvent and 4.2% w, v of salt (NaCl) in sample solution..., For 2-ethyl-1-hexanol (USEPA, OPP Pesticide Code: 079098) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., 2-Ethylhexanol is mainly used as the alcohol component for the manufacture of ester plasticizers for soft poly(vinyl chloride) (PVC)., Mercerizing textiles, as solvent for dyes, resins, oils, also claimed to possess antifoaming properties., Plasticizer for PVC resins, organic synthesis, solvent mixtures for nitrocellulose, baking finishes ... Inks, dry cleaning, Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENTFood Additives -> ADJUVANT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, METABOLITE-DEHPS, Industry Uses: Processing aids not otherwise specified, Monomers, Surfactant (surface active agent), Fuel agents, Fuel, Solvent, Dispersing agent, CBI, Chain transfer agent, Adhesion, cohesion promoter, Intermediate, Dye, Plasticizer, Cleaning agent, Filler, Not Known or Reasonably Ascertainable, Corrosion inhibitor, Emulsifier, Consumer Uses: Fuel, Household Products: Information on 24 consumer products that contain 2-Ethylhexanol in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Home Maintenance, • Inside the Home, Methods of Manufacturing: 2-Ethyl hexanol is produced in 4 steps: (1) aldolization of butyraldehyde and subsequent dehydration, (2) separation of aldolization solution, (3) hydrogenation of unsaturated 2-ethyl-2-hexenal as an intermediate product, (4) fractionation of 2-ethylhexanol. The butyraldehyde required for the aldolization stage is made by hydroformylation of propene., (A) Oxo process, from propylene and synthesis gas. (B) Aldolization of acetaldehyde or butyraldehyde, followed by hydrogenation. (C) From fermentation alcohol., HYDROGENATION OF 2-ETHYL-1-HEXENAL AT 200 °C USING A COPPER OR NICKEL CATALYST, Formulations, Preparations: Grade: Technical., Liquid grade, 99% grade, 99.5% grade, Consumption Patterns: 78% As a chem int for vinyl plasticizers, 10% as a chem int for 2-ethylhexyl acrylate, 12% in other applcns (1975), CHEMICAL PROFILE: 2-Ethylhexanol. Plasticizers, 49%, (dioctyl phthalate, 36%, dioctyl adipate, 6%, trioctyltrimellitate, 4%, other plasticizers, 3%), 2-ethylhexyl acrylate, 13%, 2-ethylhexyl nitrate (cetane improver), 5%, lube additive, 3%, surfactant, 1%, miscellaneous, exports, 25%., CHEMICAL PROFILE: 2-Ethylhexanol. Demand: 1986: 570 million lb, 1987: 630 million lb, 1991, projected, : 615 million lb (includes exports, but not imports, which were 43 million lb in 1986)., Plasticizers, 60% (dioctyl phthalate, 38%, 7%, trioctyl trimellitate, including dioctyl terephthalate, 9%), 17%, solvent, 2%, including mining applications, 7%., U.S. Production: 2023: 1, 000, 000 - <2, 500, 000 lb, 2022: 1, 2021: 1, 2020: 1, (1972) 2.27X10+11 GRAMS, (1975) 1.76X10+11 GRAMS, Demand 685 million pounds in 1992 and 700 million pounds in 1993. (Includes exports, but not imports), 1-Hexanol, 2-ethyl- is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., For more U.S. Production (Complete) data for 2-ETHYL-1-HEXANOL (7 total), please visit the HSDB record page., U.S. Imports: (1972) NEGLIGIBLE, (1993) 20 million pounds, U.S. Exports: 85 to 150 pounds per year., General Manufacturing Information: Fabricated Metal Product Manufacturing, Plastics Material and Resin Manufacturing, Paint and Coating Manufacturing, Petroleum Refineries, Adhesive Manufacturing, All Other Chemical Product and Preparation Manufacturing, Wood Product Manufacturing, Petrochemical Manufacturing, Miscellaneous Manufacturing, Asphalt Paving, Roofing, and Coating Materials Manufacturing, Other (requires additional information), All Other Basic Organic Chemical Manufacturing, Textiles, apparel, and leather manufacturing, Mining (except Oil and Gas) and support activities, All Other Basic Inorganic Chemical Manufacturing, Pe
CategoryOrganic Chemicals

Applications

Documented applications: Uses: Used as a plasticizer, defoaming agent, wetting agent, solvent (nitrocellulose, paints, lacquers, and baking finishes), and textile finishing compound, Also used in inks, rubber, paper, lubricants, photography, and dry cleaning, [Hawley], Pulp and Paper Processing [Category: Industry], Painting (Solvents) [Category: Paint], Dry Cleaning [Category: Clean], Photographic Processing [Category: Other], Textiles (Printing, Dyeing, or Finishing) [Category: Industry], USE A sensitive method for the extraction and determination of polycyclic aromatic hydrocarbons (PAHs) using alcoholic-assisted dispersive liquid-liquid microextraction (AA-DLLME) and HPLC was developed... The effective parameters (type and volume of extraction and dispersive solvents, amount of salt and stirring time) on the extraction recovery were studied and optimized utilizing factorial design (FD) and central composite design (CCD). The best recovery was achieved by FD using 2-ethyl-1-hexanol as the extraction solvent and methanol as the dispersive solvent... The optimized conditions were 145 uL of 2-ethyl-1-hexanol as the extraction solvent and 4.2% w, v of salt (NaCl) in sample solution..., For 2-ethyl-1-hexanol (USEPA, OPP Pesticide Code: 079098) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., 2-Ethylhexanol is mainly used as the alcohol component for the manufacture of ester plasticizers for soft poly(vinyl chloride) (PVC)., Mercerizing textiles, as solvent for dyes, resins, oils, also claimed to possess antifoaming properties., Plasticizer for PVC resins, organic synthesis, solvent mixtures for nitrocellulose, baking finishes ... Inks, dry cleaning, Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENTFood Additives -> ADJUVANT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, METABOLITE-DEHPS, Industry Uses: Processing aids not otherwise specified, Monomers, Surfactant (surface active agent), Fuel agents, Fuel, Solvent, Dispersing agent, CBI, Chain transfer agent, Adhesion, cohesion promoter, Intermediate, Dye, Plasticizer, Cleaning agent, Filler, Not Known or Reasonably Ascertainable, Corrosion inhibitor, Emulsifier, Consumer Uses: Fuel, Household Products: Information on 24 consumer products that contain 2-Ethylhexanol in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Home Maintenance, • Inside the Home, Methods of Manufacturing: 2-Ethyl hexanol is produced in 4 steps: (1) aldolization of butyraldehyde and subsequent dehydration, (2) separation of aldolization solution, (3) hydrogenation of unsaturated 2-ethyl-2-hexenal as an intermediate product, (4) fractionation of 2-ethylhexanol. The butyraldehyde required for the aldolization stage is made by hydroformylation of propene., (A) Oxo process, from propylene and synthesis gas. (B) Aldolization of acetaldehyde or butyraldehyde, followed by hydrogenation. (C) From fermentation alcohol., HYDROGENATION OF 2-ETHYL-1-HEXENAL AT 200 °C USING A COPPER OR NICKEL CATALYST, Formulations, Preparations: Grade: Technical., Liquid grade, 99% grade, 99.5% grade, Consumption Patterns: 78% As a chem int for vinyl plasticizers, 10% as a chem int for 2-ethylhexyl acrylate, 12% in other applcns (1975), CHEMICAL PROFILE: 2-Ethylhexanol. Plasticizers, 49%, (dioctyl phthalate, 36%, dioctyl adipate, 6%, trioctyltrimellitate, 4%, other plasticizers, 3%), 2-ethylhexyl acrylate, 13%, 2-ethylhexyl nitrate (cetane improver), 5%, lube additive, 3%, surfactant, 1%, miscellaneous, exports, 25%., CHEMICAL PROFILE: 2-Ethylhexanol. Demand: 1986: 570 million lb, 1987: 630 million lb, 1991, projected, : 615 million lb (includes exports, but not imports, which were 43 million lb in 1986)., Plasticizers, 60% (dioctyl phthalate, 38%, 7%, trioctyl trimellitate, including dioctyl terephthalate, 9%), 17%, solvent, 2%, including mining applications, 7%., U.S. Production: 2023: 1, 000, 000 - <2, 500, 000 lb, 2022: 1, 2021: 1, 2020: 1, (1972) 2.27X10+11 GRAMS, (1975) 1.76X10+11 GRAMS, Demand 685 million pounds in 1992 and 700 million pounds in 1993. (Includes exports, but not imports), 1-Hexanol, 2-ethyl- is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., For more U.S. Production (Complete) data for 2-ETHYL-1-HEXANOL (7 total), please visit the HSDB record page., U.S. Imports: (1972) NEGLIGIBLE, (1993) 20 million pounds, U.S. Exports: 85 to 150 pounds per year., General Manufacturing Information: Fabricated Metal Product Manufacturing, Plastics Material and Resin Manufacturing, Paint and Coating Manufacturing, Petroleum Refineries, Adhesive Manufacturing, All Other Chemical Product and Preparation Manufacturing, Wood Product Manufacturing, Petrochemical Manufacturing, Miscellaneous Manufacturing, Asphalt Paving, Roofing, and Coating Materials Manufacturing, Other (requires additional information), All Other Basic Organic Chemical Manufacturing, Textiles, apparel, and leather manufacturing, Mining (except Oil and Gas) and support activities, All Other Basic Inorganic Chemical Manufacturing, Pe.

Technical Profile

What this product is

2-Ethyl-1-hexanol is a carbon-based organic compound with CAS registry number 104-76-7 and molecular formula C8H18O (molecular weight 130.14 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 104-76-7

Its molecular formula C8H18O comprises 8 C, 18 H, 1 O atoms.

Also known as: 2-Ethyl-1-hexanol · 异辛醇 · 2-ETHYLHEXANOL

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 2-Ethyl-1-hexanol?

The CAS registry number of 2-Ethyl-1-hexanol is 104-76-7.

What is the molecular formula and molecular weight of 2-Ethyl-1-hexanol?

Molecular formula C8H18O, molecular weight 130.14 g/mol.

What other names is 2-Ethyl-1-hexanol known by?

It is also registered under: 2-Ethyl-1-hexanol, 异辛醇, 2-ETHYLHEXANOL.

What are the documented applications of 2-Ethyl-1-hexanol?

Recorded applications: Uses: Used as a plasticizer, defoaming agent, wetting agent, solvent (nitrocellulose, paints, lacquers, and baking finishes), and textile finishing compound, Also used in inks, rubber, paper, lubricants, photography, and dry cleaning, [Hawley], Pulp and Paper Processing [Category: Industry], Painting (Solvents) [Category: Paint], Dry Cleaning [Category: Clean], Photographic Processing [Category: Other], Textiles (Printing, Dyeing, or Finishing) [Category: Industry], USE A sensitive method for the extraction and determination of polycyclic aromatic hydrocarbons (PAHs) using alcoholic-assisted dispersive liquid-liquid microextraction (AA-DLLME) and HPLC was developed... The effective parameters (type and volume of extraction and dispersive solvents, amount of salt and stirring time) on the extraction recovery were studied and optimized utilizing factorial design (FD) and central composite design (CCD). The best recovery was achieved by FD using 2-ethyl-1-hexanol as the extraction solvent and methanol as the dispersive solvent... The optimized conditions were 145 uL of 2-ethyl-1-hexanol as the extraction solvent and 4.2% w, v of salt (NaCl) in sample solution..., For 2-ethyl-1-hexanol (USEPA, OPP Pesticide Code: 079098) there are 0 labels match., SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., 2-Ethylhexanol is mainly used as the alcohol component for the manufacture of ester plasticizers for soft poly(vinyl chloride) (PVC)., Mercerizing textiles, as solvent for dyes, resins, oils, also claimed to possess antifoaming properties., Plasticizer for PVC resins, organic synthesis, solvent mixtures for nitrocellulose, baking finishes ... Inks, dry cleaning, Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENTFood Additives -> ADJUVANT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, METABOLITE-DEHPS, Industry Uses: Processing aids not otherwise specified, Monomers, Surfactant (surface active agent), Fuel agents, Fuel, Solvent, Dispersing agent, CBI, Chain transfer agent, Adhesion, cohesion promoter, Intermediate, Dye, Plasticizer, Cleaning agent, Filler, Not Known or Reasonably Ascertainable, Corrosion inhibitor, Emulsifier, Consumer Uses: Fuel, Household Products: Information on 24 consumer products that contain 2-Ethylhexanol in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Home Maintenance, • Inside the Home, Methods of Manufacturing: 2-Ethyl hexanol is produced in 4 steps: (1) aldolization of butyraldehyde and subsequent dehydration, (2) separation of aldolization solution, (3) hydrogenation of unsaturated 2-ethyl-2-hexenal as an intermediate product, (4) fractionation of 2-ethylhexanol. The butyraldehyde required for the aldolization stage is made by hydroformylation of propene., (A) Oxo process, from propylene and synthesis gas. (B) Aldolization of acetaldehyde or butyraldehyde, followed by hydrogenation. (C) From fermentation alcohol., HYDROGENATION OF 2-ETHYL-1-HEXENAL AT 200 °C USING A COPPER OR NICKEL CATALYST, Formulations, Preparations: Grade: Technical., Liquid grade, 99% grade, 99.5% grade, Consumption Patterns: 78% As a chem int for vinyl plasticizers, 10% as a chem int for 2-ethylhexyl acrylate, 12% in other applcns (1975), CHEMICAL PROFILE: 2-Ethylhexanol. Plasticizers, 49%, (dioctyl phthalate, 36%, dioctyl adipate, 6%, trioctyltrimellitate, 4%, other plasticizers, 3%), 2-ethylhexyl acrylate, 13%, 2-ethylhexyl nitrate (cetane improver), 5%, lube additive, 3%, surfactant, 1%, miscellaneous, exports, 25%., CHEMICAL PROFILE: 2-Ethylhexanol. Demand: 1986: 570 million lb, 1987: 630 million lb, 1991, projected, : 615 million lb (includes exports, but not imports, which were 43 million lb in 1986)., Plasticizers, 60% (dioctyl phthalate, 38%, 7%, trioctyl trimellitate, including dioctyl terephthalate, 9%), 17%, solvent, 2%, including mining applications, 7%., U.S. Production: 2023: 1, 000, 000 - <2, 500, 000 lb, 2022: 1, 2021: 1, 2020: 1, (1972) 2.27X10+11 GRAMS, (1975) 1.76X10+11 GRAMS, Demand 685 million pounds in 1992 and 700 million pounds in 1993. (Includes exports, but not imports), 1-Hexanol, 2-ethyl- is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and, or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B, 51FR21438)., For more U.S. Production (Complete) data for 2-ETHYL-1-HEXANOL (7 total), please visit the HSDB record page., U.S. Imports: (1972) NEGLIGIBLE, (1993) 20 million pounds, U.S. Exports: 85 to 150 pounds per year., General Manufacturing Information: Fabricated Metal Product Manufacturing, Plastics Material and Resin Manufacturing, Paint and Coating Manufacturing, Petroleum Refineries, Adhesive Manufacturing, All Other Chemical Product and Preparation Manufacturing, Wood Product Manufacturing, Petrochemical Manufacturing, Miscellaneous Manufacturing, Asphalt Paving, Roofing, and Coating Materials Manufacturing, Other (requires additional information), All Other Basic Organic Chemical Manufacturing, Textiles, apparel, and leather manufacturing, Mining (except Oil and Gas) and support activities, All Other Basic Inorganic Chemical Manufacturing, Pe.

Which category does 2-Ethyl-1-hexanol belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 2-Ethyl-1-hexanol (CAS 104-76-7), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号104-76-7
PubChem CID7720
分子式C8H18O
分子量130.14 g/mol
IUPAC 名称2-ethylhexan-1-ol
InChIKeyYIWUKEYIRIRTPP-UHFFFAOYSA-N
UNII(FDA)XZV7TAA77P
ChEBI 编号CHEBI:16011
FEMA 编号3151
JECFA 编号267

Computed descriptors

Molecular Weight130.23
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass130.135765193
Monoisotopic Mass130.135765193
Topological Polar Surface Area20.2
Heavy Atom Count9

Physicochemical values on record

Boiling Point363 to 365 °F at 760 mmHg (NTP, 1992)
Boiling Point184.34 °C
Boiling Point184.00 to 186.00 °C. @ 760.00 mm Hg
Boiling Point182 °C
Boiling Point183 °C
Boiling Point363-365 °F
Boiling Point184.6 °C @760 [mm Hg]
Melting Point-105 °F (NTP, 1992)
Melting Point-70 °C
Melting Point-76.00 °C. @ 760.00 mm Hg

Synonyms and trade names

2-Ethylhexan-1-ol; 2-Ethylhexanol; 2-ETHYL-1-HEXANOL; 104-76-7; 2-Ethylhexyl alcohol; 1-Hexanol, 2-ethyl-; Ethylhexanol; 2-ETHYL HEXANOL; 2-Aethylhexanol; Alcohol, 2-ethylhexyl; FEMA No. 3151; DTXSID5020605; XZV7TAA77P; NSC-9300; DTXCID10605; CHEBI:16011

Regulatory listings held on file

法规与食品接触EU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
FDA Cumulative Estimated Daily Intake (CEDI): FCS
FDA 21 CFR 中列出的食品接触物质清单:FCS
FDA Inventory of Effective Food Contact Substance (FCS) Noti: FCS
Flavoring Agents
GHS 通报统计0.7% (26 / 3744)

GHS hazard classification

GHS 通报统计0.7% (26 / 3744)
已通报的危害声明H315 (88.6%), H319 (98.7%), H332 (71.2%), H335 (72.5%), H402, H227, H336, H361

What the public record says

异辛醇 的 CAS 号为 104-76-7,分子式 C8H18O,分子量 130.14 g/mol。 UNII XZV7TAA77P; ChEBI 16011; InChIKey YIWUKEYIRIRTPP-UHFFFAOYSA-N. Boiling Point: 363 to 365 °F at 760 mmHg (NTP, 1992); Boiling Point: 184.34 °C; Boiling Point: 184.00 to 186.00 °C. @ 760.00 mm Hg.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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