Octanol (CAS 111-87-5) — formula C8H18O, molecular weight 130.23.
| CAS Number | 111-87-5 |
|---|---|
| Molecular Formula | C8H18O |
| Molecular Weight | 130.23 |
| Melting Point | 5 °F (USCG, 1999) |
| Boiling Point | 383 °F at 760 mmHg (USCG, 1999) |
| LogP | 3 |
| Applications | Uses: Used in perfumery, cosmetics, shampoos, emulsifiers, detergents, and food flavors, Also used as a solvent (esters, coatings, lacquers, printing inks, textile additives, and pesticides), citric acid extractant, frothing agent, antifoaming agent in drilling muds, and growth inhibitor in tobacco production, [HSDB], For 1-octanol (USEPA, OPP Pesticide Code: 079037) ACTIVE products with label matches., SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., ... plant growth regulator ... of tobacco., Perfumery, organic synthesis, solvent manufacture of high-boiling esters, antifoaming agent, flavoring agent., Mixtures of 1-hexanol and 1-octanol serve as frothing agents (bubbling promoters) in flotation, e.g., of coal. Large amounts are added to aqueous drilling muds to prevent frothing during drilling for oil and gas., For more Uses (Complete) data for 1-OCTANOL (9 total), please visit the HSDB record page., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Viscosity controlling, Environmental transformation -> Pesticide transformation products (metabolite, successor), Industry Uses: Oxidizing agent, Intermediate, Not Known or Reasonably Ascertainable, Fragrance, Surfactant (surface active agent), Other, Wetting agent (non-aqueous), Lubricating agent, Solvent, Consumer Uses: Oxidizing agent, Monomers, Household Products: Information on 3 consumer products that contain Caprylic Alcohol in the following categories is provided:, • Auto Products, • Inside the Home, Methods of Manufacturing: Prepared from the esterified products of coconut oil, the methyl caprylate being reduced by sodium and alcohol., By reduction of some caprylic esters such as methyl caprylate with sodium ethoxide., 1-Octanol is manufactured by the Alfol process and from natural products., 1-Octanol is made commercially by sodium reduction or high-pressure catalytic hydrogenation of the esters of naturally occurring caprylic acid or by oligomerization of ethylene using aluminum alkyl technology., ... Manufactured by the hydrodimerization of 1, 3-butadiene, followed by catalytic hydrogenation of the resulting dienol, and distillation to produce n-octyl alcohol with a minimum purity of 99 percent., Formulations, Preparations: Grades: Technical, chemically pure, pure, perfume, Food Chemical Codex., Royaltac-M (Macdermid Agricultural Solutions, Inc.): Active ingredient: lauryl alcohol 0.3%, 1-octanol 36.2%, 1-decanol 48.2%., Off-Shoot-T (Macdermid Agricultural Solutions, C8-C10 Fatty Alcohol Technical (Macdermid Agricultural Solutions, 1-octanol 42.6%, 1-decanol 56.7%., For more Formulations, Preparations (Complete) data for 1-OCTANOL (14 total), U.S. Production: 2023: 50, 000, 000 - <100, 000 lb, 2022: 50, 2021: 50, 2020: 50, (1984) 1.28X10+11 G, ALCOHOLS C11 OR LOWER, (1986) >10 million-50 million pounds, (1990) >10 million-50 million pounds, (1994) >10 million-50 million pounds, For more U.S. Production (Complete) data for 1-OCTANOL (9 total), U.S. Imports: (1984) 9.42X10+9 G, OCTYL ALCOHOLS, General Manufacturing Information: Agriculture, Forestry, Fishing and Hunting, Oil and Gas Drilling, Extraction, and Support activities, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Plastics Product Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, All Other Basic Organic Chemical Manufacturing, Food, beverage, and tobacco product manufacturing, All Other Chemical Product and Preparation Manufacturing, Paint and Coating Manufacturing, 1-Octanol: ACTIVE, The single product listed under PC code 079037, although listed as 1-octanol, is also in fact a mixture of 1-octanol and 1-decanol. The earliest registered label for use of aliphatic alcohols for tobacco sucker control included in the Agency's Pesticide Product Label System (PPLS) was issued to Uniroyal in 1964., In industrial practice, the term octyl alcohol has been used for both 1-octanol and 2-ethylhexanol. The latter is also sometimes called isooctanol. The term capryl alcohol has been used for both 1-octanol and 2-octanol. |
Documented applications: Uses: Used in perfumery, cosmetics, shampoos, emulsifiers, detergents, and food flavors, Also used as a solvent (esters, coatings, lacquers, printing inks, textile additives, and pesticides), citric acid extractant, frothing agent, antifoaming agent in drilling muds, and growth inhibitor in tobacco production, [HSDB], For 1-octanol (USEPA, OPP Pesticide Code: 079037) ACTIVE products with label matches., SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., ... plant growth regulator ... of tobacco., Perfumery, organic synthesis, solvent manufacture of high-boiling esters, antifoaming agent, flavoring agent., Mixtures of 1-hexanol and 1-octanol serve as frothing agents (bubbling promoters) in flotation, e.g., of coal. Large amounts are added to aqueous drilling muds to prevent frothing during drilling for oil and gas., For more Uses (Complete) data for 1-OCTANOL (9 total), please visit the HSDB record page., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Viscosity controlling, Environmental transformation -> Pesticide transformation products (metabolite, successor), Industry Uses: Oxidizing agent, Intermediate, Not Known or Reasonably Ascertainable, Fragrance, Surfactant (surface active agent), Other, Wetting agent (non-aqueous), Lubricating agent, Solvent, Consumer Uses: Oxidizing agent, Monomers, Household Products: Information on 3 consumer products that contain Caprylic Alcohol in the following categories is provided:, • Auto Products, • Inside the Home, Methods of Manufacturing: Prepared from the esterified products of coconut oil, the methyl caprylate being reduced by sodium and alcohol., By reduction of some caprylic esters such as methyl caprylate with sodium ethoxide., 1-Octanol is manufactured by the Alfol process and from natural products., 1-Octanol is made commercially by sodium reduction or high-pressure catalytic hydrogenation of the esters of naturally occurring caprylic acid or by oligomerization of ethylene using aluminum alkyl technology., ... Manufactured by the hydrodimerization of 1, 3-butadiene, followed by catalytic hydrogenation of the resulting dienol, and distillation to produce n-octyl alcohol with a minimum purity of 99 percent., Formulations, Preparations: Grades: Technical, chemically pure, pure, perfume, Food Chemical Codex., Royaltac-M (Macdermid Agricultural Solutions, Inc.): Active ingredient: lauryl alcohol 0.3%, 1-octanol 36.2%, 1-decanol 48.2%., Off-Shoot-T (Macdermid Agricultural Solutions, C8-C10 Fatty Alcohol Technical (Macdermid Agricultural Solutions, 1-octanol 42.6%, 1-decanol 56.7%., For more Formulations, Preparations (Complete) data for 1-OCTANOL (14 total), U.S. Production: 2023: 50, 000, 000 - <100, 000 lb, 2022: 50, 2021: 50, 2020: 50, (1984) 1.28X10+11 G, ALCOHOLS C11 OR LOWER, (1986) >10 million-50 million pounds, (1990) >10 million-50 million pounds, (1994) >10 million-50 million pounds, For more U.S. Production (Complete) data for 1-OCTANOL (9 total), U.S. Imports: (1984) 9.42X10+9 G, OCTYL ALCOHOLS, General Manufacturing Information: Agriculture, Forestry, Fishing and Hunting, Oil and Gas Drilling, Extraction, and Support activities, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Plastics Product Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, All Other Basic Organic Chemical Manufacturing, Food, beverage, and tobacco product manufacturing, All Other Chemical Product and Preparation Manufacturing, Paint and Coating Manufacturing, 1-Octanol: ACTIVE, The single product listed under PC code 079037, although listed as 1-octanol, is also in fact a mixture of 1-octanol and 1-decanol. The earliest registered label for use of aliphatic alcohols for tobacco sucker control included in the Agency's Pesticide Product Label System (PPLS) was issued to Uniroyal in 1964., In industrial practice, the term octyl alcohol has been used for both 1-octanol and 2-ethylhexanol. The latter is also sometimes called isooctanol. The term capryl alcohol has been used for both 1-octanol and 2-octanol..
Octanol is a chemical compound with CAS registry number 111-87-5 and molecular formula C8H18O (molecular weight 130.23).
CAS number: 111-87-5
Its molecular formula C8H18O comprises 8 C, 18 H, 1 O atoms.
Also known as: Octanol · 辛醇 · C8 Alcohol
The CAS registry number of Octanol is 111-87-5.
Molecular formula C8H18O, molecular weight 130.23.
It is also registered under: Octanol, 辛醇, C8 Alcohol.
Recorded applications: Uses: Used in perfumery, cosmetics, shampoos, emulsifiers, detergents, and food flavors, Also used as a solvent (esters, coatings, lacquers, printing inks, textile additives, and pesticides), citric acid extractant, frothing agent, antifoaming agent in drilling muds, and growth inhibitor in tobacco production, [HSDB], For 1-octanol (USEPA, OPP Pesticide Code: 079037) ACTIVE products with label matches., SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses., ... plant growth regulator ... of tobacco., Perfumery, organic synthesis, solvent manufacture of high-boiling esters, antifoaming agent, flavoring agent., Mixtures of 1-hexanol and 1-octanol serve as frothing agents (bubbling promoters) in flotation, e.g., of coal. Large amounts are added to aqueous drilling muds to prevent frothing during drilling for oil and gas., For more Uses (Complete) data for 1-OCTANOL (9 total), please visit the HSDB record page., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Viscosity controlling, Environmental transformation -> Pesticide transformation products (metabolite, successor), Industry Uses: Oxidizing agent, Intermediate, Not Known or Reasonably Ascertainable, Fragrance, Surfactant (surface active agent), Other, Wetting agent (non-aqueous), Lubricating agent, Solvent, Consumer Uses: Oxidizing agent, Monomers, Household Products: Information on 3 consumer products that contain Caprylic Alcohol in the following categories is provided:, • Auto Products, • Inside the Home, Methods of Manufacturing: Prepared from the esterified products of coconut oil, the methyl caprylate being reduced by sodium and alcohol., By reduction of some caprylic esters such as methyl caprylate with sodium ethoxide., 1-Octanol is manufactured by the Alfol process and from natural products., 1-Octanol is made commercially by sodium reduction or high-pressure catalytic hydrogenation of the esters of naturally occurring caprylic acid or by oligomerization of ethylene using aluminum alkyl technology., ... Manufactured by the hydrodimerization of 1, 3-butadiene, followed by catalytic hydrogenation of the resulting dienol, and distillation to produce n-octyl alcohol with a minimum purity of 99 percent., Formulations, Preparations: Grades: Technical, chemically pure, pure, perfume, Food Chemical Codex., Royaltac-M (Macdermid Agricultural Solutions, Inc.): Active ingredient: lauryl alcohol 0.3%, 1-octanol 36.2%, 1-decanol 48.2%., Off-Shoot-T (Macdermid Agricultural Solutions, C8-C10 Fatty Alcohol Technical (Macdermid Agricultural Solutions, 1-octanol 42.6%, 1-decanol 56.7%., For more Formulations, Preparations (Complete) data for 1-OCTANOL (14 total), U.S. Production: 2023: 50, 000, 000 - <100, 000 lb, 2022: 50, 2021: 50, 2020: 50, (1984) 1.28X10+11 G, ALCOHOLS C11 OR LOWER, (1986) >10 million-50 million pounds, (1990) >10 million-50 million pounds, (1994) >10 million-50 million pounds, For more U.S. Production (Complete) data for 1-OCTANOL (9 total), U.S. Imports: (1984) 9.42X10+9 G, OCTYL ALCOHOLS, General Manufacturing Information: Agriculture, Forestry, Fishing and Hunting, Oil and Gas Drilling, Extraction, and Support activities, Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Plastics Product Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, All Other Basic Organic Chemical Manufacturing, Food, beverage, and tobacco product manufacturing, All Other Chemical Product and Preparation Manufacturing, Paint and Coating Manufacturing, 1-Octanol: ACTIVE, The single product listed under PC code 079037, although listed as 1-octanol, is also in fact a mixture of 1-octanol and 1-decanol. The earliest registered label for use of aliphatic alcohols for tobacco sucker control included in the Agency's Pesticide Product Label System (PPLS) was issued to Uniroyal in 1964., In industrial practice, the term octyl alcohol has been used for both 1-octanol and 2-ethylhexanol. The latter is also sometimes called isooctanol. The term capryl alcohol has been used for both 1-octanol and 2-octanol..
Independent reference data for Octanol (CAS 111-87-5), compiled from public chemistry databases.
| CAS Registry Number | 111-87-5 |
|---|---|
| PubChem CID | 957 |
| Molecular formula | C8H18O |
| IUPAC name | octan-1-ol |
| UNII (FDA) | NV1779205D |
| FEMA number | 2800 |
| JECFA number | 97 |
| Molecular Weight | 130.23 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 6 |
| Exact Mass | 130.135765193 |
| Monoisotopic Mass | 130.135765193 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 9 |
| Boiling Point | 383 °F at 760 mmHg (USCG, 1999) |
|---|---|
| Boiling Point | 194.7 °C |
| Boiling Point | 194.00 to 196.00 °C. @ 760.00 mm Hg |
| Boiling Point | 194-195 °C |
| Boiling Point | 195 °C |
| Boiling Point | 194.5 °C @760 [mm Hg] |
| Melting Point | 5 °F (USCG, 1999) |
| Melting Point | -14.7 °C |
| Melting Point | -15.5 °C |
| Melting Point | -14.8 °C |
1-octanol; Octan-1-ol; 111-87-5; N-octanol; Octyl alcohol; caprylic alcohol; n-Octyl alcohol; Heptyl carbinol; 1-Hydroxyoctane; Alcohol C-8; Octilin; Primary octyl alcohol; n-Octan-1-ol; Dytol M-83; Alfol 8; Sipol L8
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Bitter Almond, Burnt Matches, Fat, Floral |
|---|---|
| GHS notification summary | 0.2% (7 / 3216) |
| GHS notification summary | 0.2% (7 / 3216) |
|---|---|
| Reported hazard statements | H302, H312 (14.7%), H315 (23.7%), H319 (98.8%), H412 (15.1%), H227, H370, H371 |
This chemical does not meet GHS hazard criteria for 0.2% (7 of 3216) of reports.
H302+H312 (14.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
C8 Alcohol · CAS 111-87-5 · C8H18O. UNII NV1779205D. Boiling Point: 383 °F at 760 mmHg (USCG, 1999); Boiling Point: 194.7 °C; Boiling Point: 194.00 to 196.00 °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: 辛醇