Hexanol (CAS 111-27-3) — formula C6H14O, molecular weight 102.17.
| CAS Number | 111-27-3 |
|---|---|
| Molecular Formula | C6H14O |
| Molecular Weight | 102.17 |
| Melting Point | -48.3 °F (USCG, 1999) |
| Boiling Point | 314.8 °F at 760 mmHg (USCG, 1999) |
| LogP | 2 |
| Applications | Uses: Used to produce plasticizers, antiseptics, fragrances, pharmaceuticals, and finishing agents for textile and leather, Used as a flavoring agent and a solvent for fats, waxes, dyes, and paints, [CHEMINFO], Painting (Solvents) [Category: Paint], For 1-Hexanol (USEPA, OPP Pesticide Code: 079047) 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., The active ingredient is no longer contained in any registered pesticide products ... "cancelled.", Synthetic flavoring ingredient, Pharmaceuticals (introduction of hexyl group into hyponics, perfume esters, etc), solvent, plasticizer, intermediate for textile and leather finishing agents., For more Uses (Complete) data for 1-HEXANOL (12 total), please visit the HSDB record page., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Hydrotrope, Solvent, Surfactant, Antifoaming, Industry Uses: Lubricating agent, Wetting agent (non-aqueous), Flavoring and nutrient, Fuel, Surfactant (surface active agent), Monomers, Emulsifier, Fragrance, Intermediate, Consumer Uses: Lubricating agent, Not Known or Reasonably Ascertainable, Household Products: Information on 6 consumer products that contain hexan-1-ol in the following categories is provided:, • Auto Products, • Inside the Home, Methods of Manufacturing: Addition of ethylene to triethylaluminum followed by oxidation of the growth product, hydrolysis, and fractional distillation, from condensation of n-butyraldehyde and acetaldehyde, followed by dehydration and hydrogenation., Laboratory preparation by action of butylmagnesium bromide on ethylene oxide ... 1, 3-hexadienal with iron wire in presence of nickel acetate, Industrial preparation by reducing ethyl caproate with sodium in absolute alcohol: Bouveault, Blanc, German patent 164, 294 (1903)., Reaction of acetaldehyde and crotonaldehyde followed by hydrogenation, For more Methods of Manufacturing (Complete) data for 1-HEXANOL (7 total), Impurities: Co-products of acetaldehyde-crotonaldehyde reaction, to produce hexanol, are 1-decanol and 1-octanol., The by-product of acetaldehyde-butyraldehyde aldolization, is 2-ethyl-1-butanol., Commercial plasticizer hexanol contains acidity (0.001% as acetic acid), carbonyl (<0.003 wt % oxygen), and 0.05% moisture, Formulations, Preparations: Grades: Technical (90-99%), purified (99.8%)., Blend of hexanol, 4%, octanol, 42%, decanol, 54%, Epal 610: C6 alcohol, 17 wt%, C8 alcohol, 36 wt%, C10 alcohol, 47 wt%, from table, Epal 810: C6 alcohol, 1 wt%, 45 wt%, 54 wt%, For more Formulations, Preparations (Complete) data for 1-HEXANOL (6 total), U.S. Production: 2023: 10, 000, 000 - <50, 000 lb, 2022: 10, 2021: 10, 2020: 10, This chemical is listed as a High Production Volume (HPV) (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)., (1972) 7.40X10+9 GRAMS, (1974) 1.67X10+10 GRAMS, (1984) 1.28X10+11 G, ALCOHOLS C11 OR LOWER, For more U.S. Production (Complete) data for 1-HEXANOL (9 total), U.S. Imports: (1973) 3.12X10+8 GRAMS, (1975) 1.02X10+6 GRAMS, (1984) 2.93X10+8 G, HEXYL ALCOHOLS, U.S. Exports: (1984) 5.71X10+7 G, General Manufacturing Information: All Other Basic Organic Chemical Manufacturing, Other (requires additional information), Petrochemical Manufacturing, Food, beverage, and tobacco product manufacturing, Plastics Material and Resin Manufacturing, Agriculture, Forestry, Fishing and Hunting, Oil and Gas Drilling, Extraction, and Support activities, Petroleum Lubricating Oil and Grease Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Plastics Product Manufacturing, Mining (except Oil and Gas) and support activities, 1-Hexanol: ACTIVE, Hexanol: ACTIVE, Commercial products from the family of 6 to 11 carbon alcohols that make up the plasticizer range are available both as ... pure single carbon chain materials and as complex isomeric mixtures. Commercial descriptions of plasticizer range alcohols are ... in general a ... pure material is called "-anol", eg, 1-hexanol, and the mixtures are called "-yl alcohol, hexyl alcohol, or "iso...yl alcohol", isohexyl alcohol, . |
Documented applications: Uses: Used to produce plasticizers, antiseptics, fragrances, pharmaceuticals, and finishing agents for textile and leather, Used as a flavoring agent and a solvent for fats, waxes, dyes, and paints, [CHEMINFO], Painting (Solvents) [Category: Paint], For 1-Hexanol (USEPA, OPP Pesticide Code: 079047) 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., The active ingredient is no longer contained in any registered pesticide products ... "cancelled.", Synthetic flavoring ingredient, Pharmaceuticals (introduction of hexyl group into hyponics, perfume esters, etc), solvent, plasticizer, intermediate for textile and leather finishing agents., For more Uses (Complete) data for 1-HEXANOL (12 total), please visit the HSDB record page., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Hydrotrope, Solvent, Surfactant, Antifoaming, Industry Uses: Lubricating agent, Wetting agent (non-aqueous), Flavoring and nutrient, Fuel, Surfactant (surface active agent), Monomers, Emulsifier, Fragrance, Intermediate, Consumer Uses: Lubricating agent, Not Known or Reasonably Ascertainable, Household Products: Information on 6 consumer products that contain hexan-1-ol in the following categories is provided:, • Auto Products, • Inside the Home, Methods of Manufacturing: Addition of ethylene to triethylaluminum followed by oxidation of the growth product, hydrolysis, and fractional distillation, from condensation of n-butyraldehyde and acetaldehyde, followed by dehydration and hydrogenation., Laboratory preparation by action of butylmagnesium bromide on ethylene oxide ... 1, 3-hexadienal with iron wire in presence of nickel acetate, Industrial preparation by reducing ethyl caproate with sodium in absolute alcohol: Bouveault, Blanc, German patent 164, 294 (1903)., Reaction of acetaldehyde and crotonaldehyde followed by hydrogenation, For more Methods of Manufacturing (Complete) data for 1-HEXANOL (7 total), Impurities: Co-products of acetaldehyde-crotonaldehyde reaction, to produce hexanol, are 1-decanol and 1-octanol., The by-product of acetaldehyde-butyraldehyde aldolization, is 2-ethyl-1-butanol., Commercial plasticizer hexanol contains acidity (0.001% as acetic acid), carbonyl (<0.003 wt % oxygen), and 0.05% moisture, Formulations, Preparations: Grades: Technical (90-99%), purified (99.8%)., Blend of hexanol, 4%, octanol, 42%, decanol, 54%, Epal 610: C6 alcohol, 17 wt%, C8 alcohol, 36 wt%, C10 alcohol, 47 wt%, from table, Epal 810: C6 alcohol, 1 wt%, 45 wt%, 54 wt%, For more Formulations, Preparations (Complete) data for 1-HEXANOL (6 total), U.S. Production: 2023: 10, 000, 000 - <50, 000 lb, 2022: 10, 2021: 10, 2020: 10, This chemical is listed as a High Production Volume (HPV) (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)., (1972) 7.40X10+9 GRAMS, (1974) 1.67X10+10 GRAMS, (1984) 1.28X10+11 G, ALCOHOLS C11 OR LOWER, For more U.S. Production (Complete) data for 1-HEXANOL (9 total), U.S. Imports: (1973) 3.12X10+8 GRAMS, (1975) 1.02X10+6 GRAMS, (1984) 2.93X10+8 G, HEXYL ALCOHOLS, U.S. Exports: (1984) 5.71X10+7 G, General Manufacturing Information: All Other Basic Organic Chemical Manufacturing, Other (requires additional information), Petrochemical Manufacturing, Food, beverage, and tobacco product manufacturing, Plastics Material and Resin Manufacturing, Agriculture, Forestry, Fishing and Hunting, Oil and Gas Drilling, Extraction, and Support activities, Petroleum Lubricating Oil and Grease Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Plastics Product Manufacturing, Mining (except Oil and Gas) and support activities, 1-Hexanol: ACTIVE, Hexanol: ACTIVE, Commercial products from the family of 6 to 11 carbon alcohols that make up the plasticizer range are available both as ... pure single carbon chain materials and as complex isomeric mixtures. Commercial descriptions of plasticizer range alcohols are ... in general a ... pure material is called "-anol", eg, 1-hexanol, and the mixtures are called "-yl alcohol, hexyl alcohol, or "iso...yl alcohol", isohexyl alcohol, ..
Hexanol is a chemical compound with CAS registry number 111-27-3 and molecular formula C6H14O (molecular weight 102.17).
CAS number: 111-27-3
Its molecular formula C6H14O comprises 6 C, 14 H, 1 O atoms.
Also known as: Hexanol · 正己醇 · 1-Hexanol (Hexyl alcohol)
The CAS registry number of Hexanol is 111-27-3.
Molecular formula C6H14O, molecular weight 102.17.
It is also registered under: Hexanol, 正己醇, 1-Hexanol (Hexyl alcohol).
Recorded applications: Uses: Used to produce plasticizers, antiseptics, fragrances, pharmaceuticals, and finishing agents for textile and leather, Used as a flavoring agent and a solvent for fats, waxes, dyes, and paints, [CHEMINFO], Painting (Solvents) [Category: Paint], For 1-Hexanol (USEPA, OPP Pesticide Code: 079047) 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., The active ingredient is no longer contained in any registered pesticide products ... "cancelled.", Synthetic flavoring ingredient, Pharmaceuticals (introduction of hexyl group into hyponics, perfume esters, etc), solvent, plasticizer, intermediate for textile and leather finishing agents., For more Uses (Complete) data for 1-HEXANOL (12 total), please visit the HSDB record page., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Hydrotrope, Solvent, Surfactant, Antifoaming, Industry Uses: Lubricating agent, Wetting agent (non-aqueous), Flavoring and nutrient, Fuel, Surfactant (surface active agent), Monomers, Emulsifier, Fragrance, Intermediate, Consumer Uses: Lubricating agent, Not Known or Reasonably Ascertainable, Household Products: Information on 6 consumer products that contain hexan-1-ol in the following categories is provided:, • Auto Products, • Inside the Home, Methods of Manufacturing: Addition of ethylene to triethylaluminum followed by oxidation of the growth product, hydrolysis, and fractional distillation, from condensation of n-butyraldehyde and acetaldehyde, followed by dehydration and hydrogenation., Laboratory preparation by action of butylmagnesium bromide on ethylene oxide ... 1, 3-hexadienal with iron wire in presence of nickel acetate, Industrial preparation by reducing ethyl caproate with sodium in absolute alcohol: Bouveault, Blanc, German patent 164, 294 (1903)., Reaction of acetaldehyde and crotonaldehyde followed by hydrogenation, For more Methods of Manufacturing (Complete) data for 1-HEXANOL (7 total), Impurities: Co-products of acetaldehyde-crotonaldehyde reaction, to produce hexanol, are 1-decanol and 1-octanol., The by-product of acetaldehyde-butyraldehyde aldolization, is 2-ethyl-1-butanol., Commercial plasticizer hexanol contains acidity (0.001% as acetic acid), carbonyl (<0.003 wt % oxygen), and 0.05% moisture, Formulations, Preparations: Grades: Technical (90-99%), purified (99.8%)., Blend of hexanol, 4%, octanol, 42%, decanol, 54%, Epal 610: C6 alcohol, 17 wt%, C8 alcohol, 36 wt%, C10 alcohol, 47 wt%, from table, Epal 810: C6 alcohol, 1 wt%, 45 wt%, 54 wt%, For more Formulations, Preparations (Complete) data for 1-HEXANOL (6 total), U.S. Production: 2023: 10, 000, 000 - <50, 000 lb, 2022: 10, 2021: 10, 2020: 10, This chemical is listed as a High Production Volume (HPV) (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)., (1972) 7.40X10+9 GRAMS, (1974) 1.67X10+10 GRAMS, (1984) 1.28X10+11 G, ALCOHOLS C11 OR LOWER, For more U.S. Production (Complete) data for 1-HEXANOL (9 total), U.S. Imports: (1973) 3.12X10+8 GRAMS, (1975) 1.02X10+6 GRAMS, (1984) 2.93X10+8 G, HEXYL ALCOHOLS, U.S. Exports: (1984) 5.71X10+7 G, General Manufacturing Information: All Other Basic Organic Chemical Manufacturing, Other (requires additional information), Petrochemical Manufacturing, Food, beverage, and tobacco product manufacturing, Plastics Material and Resin Manufacturing, Agriculture, Forestry, Fishing and Hunting, Oil and Gas Drilling, Extraction, and Support activities, Petroleum Lubricating Oil and Grease Manufacturing, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Plastics Product Manufacturing, Mining (except Oil and Gas) and support activities, 1-Hexanol: ACTIVE, Hexanol: ACTIVE, Commercial products from the family of 6 to 11 carbon alcohols that make up the plasticizer range are available both as ... pure single carbon chain materials and as complex isomeric mixtures. Commercial descriptions of plasticizer range alcohols are ... in general a ... pure material is called "-anol", eg, 1-hexanol, and the mixtures are called "-yl alcohol, hexyl alcohol, or "iso...yl alcohol", isohexyl alcohol, ..
Independent reference data for Hexanol (CAS 111-27-3), compiled from public chemistry databases.
| CAS Registry Number | 111-27-3 |
|---|---|
| PubChem CID | 8103 |
| Molecular formula | C6H14O |
| Molecular weight | 102.10 g/mol |
| IUPAC name | hexan-1-ol |
| InChIKey | ZSIAUFGUXNUGDI-UHFFFAOYSA-N |
| UNII (FDA) | 6CP2QER8GS |
| ChEBI ID | CHEBI:87393 |
| FEMA number | 2567 |
| JECFA number | 91 |
| Molecular Weight | 102.17 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 102.104465066 |
| Monoisotopic Mass | 102.104465066 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 7 |
| Boiling Point | 314.8 °F at 760 mmHg (USCG, 1999) |
|---|---|
| Boiling Point | 157 °C at 760 mm Hg |
| Boiling Point | 156.00 to 157.00 °C. @ 760.00 mm Hg |
| Boiling Point | 157 °C |
| Boiling Point | 157.2 °C @760 [mm Hg] |
| Melting Point | -48.3 °F (USCG, 1999) |
| Melting Point | -44.6 °C |
| Melting Point | -46.7 °C |
| Flash Point | 145 °F (USCG, 1999) |
| Flash Point | 73.9 °C (Open cup) |
1-Hexanol; Hexyl alcohol; Hexan-1-ol; 111-27-3; n-Hexanol; n-Hexyl alcohol; Amylcarbinol; 1-Hydroxyhexane; Caproyl alcohol; 1-Hexyl alcohol; Pentylcarbinol; n-Hexan-1-ol; Caproic alcohol; C6 alcohol; Alcohol(C6); EPAL 6
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Banana, Flower, Grass, Herb No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302, H226 (34.3%), H312 (23.3%), H319 (35.5%), H315 |
|---|
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
1-Hexanol (Hexyl alcohol) is identified by CAS 111-27-3, molecular formula C6H14O and molecular weight 102.10 g/mol. UNII 6CP2QER8GS; ChEBI 87393; InChIKey ZSIAUFGUXNUGDI-UHFFFAOYSA-N. Boiling Point: 314.8 °F at 760 mmHg (USCG, 1999); Boiling Point: 157 °C at 760 mm Hg; Boiling Point: 156.00 to 157.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 正己醇