Linalyl Acetate (CAS 115-95-7) — formula C12H20O2, molecular weight 196.29.
| CAS Number | 115-95-7 |
|---|---|
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.29 |
| Melting Point | < 25 °C |
| Boiling Point | 221 °C |
| LogP | 3.3 |
| Applications | Uses: Present in bergamot, lavender, and other volatile oils, [Merck Index] Used in perfumes, soaps, cleaning products, cosmetics, oil paints, and flavoring extracts, [HSDB], Painting (Solvents) [Category: Paint], Extracts, perfumery, flavoring agent, substitute for petitgrain oil., In perfumery, it is widely used as a fresh and sweet blender., It is an excellent fragrance material for, among others, bergamot, lilac, linden, neroli, ylang-ylang, and phantasy notes (particularly chypre). Smaller amounts are used in other citrus products. Since linalyl acetate is fairly stable toward alkali, it can also be employed in soaps and detergents., Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994), Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#1850], Lynalyl acetate, is used as an intermediate and found in soaps, cleaning products and cosmetics (perfume) ... . It is a component of oil paint, is used in extracts and as a substitute for petitgrain oil ... Linalyl acetate is a food additive. Foodstuffs contain between 1.9 (soft drinks) and 13 ppm (chewing gum) linalyl acetate ... . The Danish product register indicates that linalyl acetate is a constituent of several industrial products (odor agents, cleaning, washing agents, absorbents and adsorbents, process regulators, welding and soldering agents, non-agricultural pesticides and preservatives, surface treatment). The total amount per product of the substance was 2% or less, except in odor agents (<20%) ... . The Norwegian Product register indicates that linalyl acetate is used in car polish (wax), ordinary cleaning products and detergents (for textile). The content in the products is between 0 and 1% ... ., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Masking, Industry Uses: Fragrance, Odor agents, Flavoring and nutrient, Other, Consumer Uses: Odor agents, Fragrance, Household Products: Cosmetics product ingredient: 3, 7-Dimethyl octa-1, 6-diene-3-yl acetate (Linalyl Acetate), Linalyl acetate is a fragrance allergen. Fragrance allergens are hazardous only to individuals who suffer from fragrance allergies. The Cosmetic Fragrance and Flavor Ingredient Right to Know Act of 2020 requires fragrance allergens included in Annex III of the EU Cosmetics Regulation No. 1223, 2009 be reported to the California Department of Public Health. Fragrance allergens are only required to be reported if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)., For more information, you can visit the fragrance allergens webpage on the California Safe Cosmetics Program website:, https:, www.cdph.ca.gov, Programs, CCDPHP, DEODC, OHB, CSCP, Pages, FragranceAllergens.aspx, Product count: 9611, Information on 273 consumer products that contain Linalyl acetate in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, • Pesticides, • Pet Care, Methods of Manufacturing: Normally prepared by direct acetylation of linalool, another method starts from myrcene hydrochloride, anhydrous sodium acetate and acetate anhydride in the presence of a catalyst, all synthetic methods tend to avoid the simultaneous formation (because of isomerization) of terpenyl and geranyl acetate., Action of acetic anhydride on linalool in presence of sulfuric acid. May also be obtained from bergamot and other oils. Method of purification: rectification., Esterification, of linalool, with ketene in the presence of an acidic esterification catalyst below 30 °C results in formation of linalyl acetate without any byproducts. Esterification can be achieved in good yield, with boiling acetic anhydride, whereby the acetic acid is distilled off as it is formed, a large excess of acetic anhydride must be maintained by continuous addition of anhydride to the still vessel. Highly pure linalyl acetate can be obtained by transesterification of tert-butyl acetate with linalool in the presence of sodium methylate and by continuous removal of the tert-butanol formed in the process., Dehydrolinalool, obtained by ethynylation of 2-methyl-2-hepten-6-one, can be converted into dehydrolinalyl acetate with acetic anhydride in the presence of an acidic esterification catalyst. Partial hydrogenation of the triple bond to linalyl acetate can be carried out with, for example, palladium catalysts deactivated with lead., Impurities: Dihydrolinalool, dehydrolinalool, tetrahydrolinalylacetate, linalool., Formulations, Preparations: Grade: Ex bois de rose oil 92%, 96-98%, FCC, Food Chemical Codex, (natural and synthetic)., Purity >96%, U.S. Production: 2023: 10, 000, 000 - <25, 000 lb, 2022: 10, 2021: 10, 2020: 10, Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#1849], 1, 6-Octadien-3-ol, 3, 7-dimethyl-, acetate 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)., Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1, 3-acetate. National Production Volume: 3, 228, 892 lb, yr |
Documented applications: Uses: Present in bergamot, lavender, and other volatile oils, [Merck Index] Used in perfumes, soaps, cleaning products, cosmetics, oil paints, and flavoring extracts, [HSDB], Painting (Solvents) [Category: Paint], Extracts, perfumery, flavoring agent, substitute for petitgrain oil., In perfumery, it is widely used as a fresh and sweet blender., It is an excellent fragrance material for, among others, bergamot, lilac, linden, neroli, ylang-ylang, and phantasy notes (particularly chypre). Smaller amounts are used in other citrus products. Since linalyl acetate is fairly stable toward alkali, it can also be employed in soaps and detergents., Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994), Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#1850], Lynalyl acetate, is used as an intermediate and found in soaps, cleaning products and cosmetics (perfume) ... . It is a component of oil paint, is used in extracts and as a substitute for petitgrain oil ... Linalyl acetate is a food additive. Foodstuffs contain between 1.9 (soft drinks) and 13 ppm (chewing gum) linalyl acetate ... . The Danish product register indicates that linalyl acetate is a constituent of several industrial products (odor agents, cleaning, washing agents, absorbents and adsorbents, process regulators, welding and soldering agents, non-agricultural pesticides and preservatives, surface treatment). The total amount per product of the substance was 2% or less, except in odor agents (<20%) ... . The Norwegian Product register indicates that linalyl acetate is used in car polish (wax), ordinary cleaning products and detergents (for textile). The content in the products is between 0 and 1% ... ., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Masking, Industry Uses: Fragrance, Odor agents, Flavoring and nutrient, Other, Consumer Uses: Odor agents, Fragrance, Household Products: Cosmetics product ingredient: 3, 7-Dimethyl octa-1, 6-diene-3-yl acetate (Linalyl Acetate), Linalyl acetate is a fragrance allergen. Fragrance allergens are hazardous only to individuals who suffer from fragrance allergies. The Cosmetic Fragrance and Flavor Ingredient Right to Know Act of 2020 requires fragrance allergens included in Annex III of the EU Cosmetics Regulation No. 1223, 2009 be reported to the California Department of Public Health. Fragrance allergens are only required to be reported if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)., For more information, you can visit the fragrance allergens webpage on the California Safe Cosmetics Program website:, https:, www.cdph.ca.gov, Programs, CCDPHP, DEODC, OHB, CSCP, Pages, FragranceAllergens.aspx, Product count: 9611, Information on 273 consumer products that contain Linalyl acetate in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, • Pesticides, • Pet Care, Methods of Manufacturing: Normally prepared by direct acetylation of linalool, another method starts from myrcene hydrochloride, anhydrous sodium acetate and acetate anhydride in the presence of a catalyst, all synthetic methods tend to avoid the simultaneous formation (because of isomerization) of terpenyl and geranyl acetate., Action of acetic anhydride on linalool in presence of sulfuric acid. May also be obtained from bergamot and other oils. Method of purification: rectification., Esterification, of linalool, with ketene in the presence of an acidic esterification catalyst below 30 °C results in formation of linalyl acetate without any byproducts. Esterification can be achieved in good yield, with boiling acetic anhydride, whereby the acetic acid is distilled off as it is formed, a large excess of acetic anhydride must be maintained by continuous addition of anhydride to the still vessel. Highly pure linalyl acetate can be obtained by transesterification of tert-butyl acetate with linalool in the presence of sodium methylate and by continuous removal of the tert-butanol formed in the process., Dehydrolinalool, obtained by ethynylation of 2-methyl-2-hepten-6-one, can be converted into dehydrolinalyl acetate with acetic anhydride in the presence of an acidic esterification catalyst. Partial hydrogenation of the triple bond to linalyl acetate can be carried out with, for example, palladium catalysts deactivated with lead., Impurities: Dihydrolinalool, dehydrolinalool, tetrahydrolinalylacetate, linalool., Formulations, Preparations: Grade: Ex bois de rose oil 92%, 96-98%, FCC, Food Chemical Codex, (natural and synthetic)., Purity >96%, U.S. Production: 2023: 10, 000, 000 - <25, 000 lb, 2022: 10, 2021: 10, 2020: 10, Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#1849], 1, 6-Octadien-3-ol, 3, 7-dimethyl-, acetate 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)., Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1, 3-acetate. National Production Volume: 3, 228, 892 lb, yr.
Linalyl Acetate is a chemical compound with CAS registry number 115-95-7 and molecular formula C12H20O2 (molecular weight 196.29).
CAS number: 115-95-7
Its molecular formula C12H20O2 comprises 12 C, 20 H, 2 O atoms.
Also known as: Linalyl Acetate · 乙酸芳樟酯
The CAS registry number of Linalyl Acetate is 115-95-7.
Molecular formula C12H20O2, molecular weight 196.29.
It is also registered under: Linalyl Acetate, 乙酸芳樟酯.
Recorded applications: Uses: Present in bergamot, lavender, and other volatile oils, [Merck Index] Used in perfumes, soaps, cleaning products, cosmetics, oil paints, and flavoring extracts, [HSDB], Painting (Solvents) [Category: Paint], Extracts, perfumery, flavoring agent, substitute for petitgrain oil., In perfumery, it is widely used as a fresh and sweet blender., It is an excellent fragrance material for, among others, bergamot, lilac, linden, neroli, ylang-ylang, and phantasy notes (particularly chypre). Smaller amounts are used in other citrus products. Since linalyl acetate is fairly stable toward alkali, it can also be employed in soaps and detergents., Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994), Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#1850], Lynalyl acetate, is used as an intermediate and found in soaps, cleaning products and cosmetics (perfume) ... . It is a component of oil paint, is used in extracts and as a substitute for petitgrain oil ... Linalyl acetate is a food additive. Foodstuffs contain between 1.9 (soft drinks) and 13 ppm (chewing gum) linalyl acetate ... . The Danish product register indicates that linalyl acetate is a constituent of several industrial products (odor agents, cleaning, washing agents, absorbents and adsorbents, process regulators, welding and soldering agents, non-agricultural pesticides and preservatives, surface treatment). The total amount per product of the substance was 2% or less, except in odor agents (<20%) ... . The Norwegian Product register indicates that linalyl acetate is used in car polish (wax), ordinary cleaning products and detergents (for textile). The content in the products is between 0 and 1% ... ., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Cosmetics -> Masking, Industry Uses: Fragrance, Odor agents, Flavoring and nutrient, Other, Consumer Uses: Odor agents, Fragrance, Household Products: Cosmetics product ingredient: 3, 7-Dimethyl octa-1, 6-diene-3-yl acetate (Linalyl Acetate), Linalyl acetate is a fragrance allergen. Fragrance allergens are hazardous only to individuals who suffer from fragrance allergies. The Cosmetic Fragrance and Flavor Ingredient Right to Know Act of 2020 requires fragrance allergens included in Annex III of the EU Cosmetics Regulation No. 1223, 2009 be reported to the California Department of Public Health. Fragrance allergens are only required to be reported if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)., For more information, you can visit the fragrance allergens webpage on the California Safe Cosmetics Program website:, https:, www.cdph.ca.gov, Programs, CCDPHP, DEODC, OHB, CSCP, Pages, FragranceAllergens.aspx, Product count: 9611, Information on 273 consumer products that contain Linalyl acetate in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, • Pesticides, • Pet Care, Methods of Manufacturing: Normally prepared by direct acetylation of linalool, another method starts from myrcene hydrochloride, anhydrous sodium acetate and acetate anhydride in the presence of a catalyst, all synthetic methods tend to avoid the simultaneous formation (because of isomerization) of terpenyl and geranyl acetate., Action of acetic anhydride on linalool in presence of sulfuric acid. May also be obtained from bergamot and other oils. Method of purification: rectification., Esterification, of linalool, with ketene in the presence of an acidic esterification catalyst below 30 °C results in formation of linalyl acetate without any byproducts. Esterification can be achieved in good yield, with boiling acetic anhydride, whereby the acetic acid is distilled off as it is formed, a large excess of acetic anhydride must be maintained by continuous addition of anhydride to the still vessel. Highly pure linalyl acetate can be obtained by transesterification of tert-butyl acetate with linalool in the presence of sodium methylate and by continuous removal of the tert-butanol formed in the process., Dehydrolinalool, obtained by ethynylation of 2-methyl-2-hepten-6-one, can be converted into dehydrolinalyl acetate with acetic anhydride in the presence of an acidic esterification catalyst. Partial hydrogenation of the triple bond to linalyl acetate can be carried out with, for example, palladium catalysts deactivated with lead., Impurities: Dihydrolinalool, dehydrolinalool, tetrahydrolinalylacetate, linalool., Formulations, Preparations: Grade: Ex bois de rose oil 92%, 96-98%, FCC, Food Chemical Codex, (natural and synthetic)., Purity >96%, U.S. Production: 2023: 10, 000, 000 - <25, 000 lb, 2022: 10, 2021: 10, 2020: 10, Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#1849], 1, 6-Octadien-3-ol, 3, 7-dimethyl-, acetate 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)., Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: 1, 3-acetate. National Production Volume: 3, 228, 892 lb, yr.
Independent reference data for Linalyl Acetate (CAS 115-95-7), compiled from public chemistry databases.
| CAS Registry Number | 115-95-7 |
|---|---|
| PubChem CID | 8294 |
| Molecular formula | C12H20O2 |
| IUPAC name | 3,7-dimethylocta-1,6-dien-3-yl acetate |
| UNII (FDA) | 5K47SSQ51G |
| FEMA number | 2636 |
| JECFA number | 359 |
| Molecular Weight | 196.29 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 196.146329876 |
| Monoisotopic Mass | 196.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 221 °C |
|---|---|
| Boiling Point | 220.00 °C. @ 760.00 mm Hg |
| Boiling Point | 220 °C |
| Melting Point | < 25 °C |
| Flash Point | 94 °C (201 °F) - closed cup |
| Flash Point | 185 °F (85 °C) (closed cup) |
| Flash Point | 85 °C c.c. |
| Density | 0.895 g/cu cm at 20 °C |
| Density | 0.895-0.914 |
| Vapor Pressure | 0.11 [mmHg] |
LINALYL ACETATE; 115-95-7; Linalool acetate; Bergamiol; Bergamol; 3,7-dimethylocta-1,6-dien-3-yl acetate; Lynalyl acetate; Linalol acetate; Licareol acetate; Acetic acid linalool ester; 3,7-Dimethyl-1,6-octadien-3-ol acetate; 3,7-Dimethyl-1,6-octadien-3-yl acetate; 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate; 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate; FEMA No. 2636; DTXSID7026946
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit JECFA ADI: 0-0.5 mg/kg bw (1979) |
|---|---|
| GHS notification summary | 13.5% (316 / 2347) |
| GHS notification summary | 13.5% (316 / 2347) |
|---|---|
| Reported hazard statements | H315 (85.5%), H317 (12.2%), H319 (85.3%), H227, H336, H401, H335 |
This chemical does not meet GHS hazard criteria for 13.5% (316 of 2347) of reports.
H315 (85.5%): Causes skin irritation [Warning Skin corrosion/irritation]
Linalyl Acetate · CAS 115-95-7 · C12H20O2. UNII 5K47SSQ51G. Boiling Point: 221 °C; Boiling Point: 220.00 °C. @ 760.00 mm Hg; Boiling Point: 220 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙酸芳樟酯