乙酸香叶酯（CAS 105-87-3）：分子式 C12H20O2、分子量 196.29。
| CAS号 | 105-87-3 |
|---|---|
| 分子式 | C12H20O2 |
| 分子量 | 196.29 |
| 熔点 | < 25 °C |
| 沸点 | 468 °F at 760 mmHg (NTP, 1992) |
| LogP | log Kow = 4.04 |
| 应用领域 | Uses: Occurs in several essential oils、Used in perfumes and flavors、[Hawley]、Perfumery、flavoring、Used as a synthetic flavoring substance and adjuvant.、Used frequently in perfumery to create not only flowery-fruity nuances (example、rose)、but also for citrus and lavender notes. A small amount is added to fruit aromas for shading.、Widely used in perfume compositions as a sweetener and modifier in floral、fruit、herbaceous and Citrusy fragrance types. Used in flavor composition for a great variation of types: apricot、apple、banana、blackcurrant、gooseberry、ginger ale、grape、honey、lemon、peach、pear、lime、wine、and in various spice complexes、berry variations、and floral flavor types.、Reported uses: Alcoholic and nonalcoholic beverages、baked goods、chewing gum、frozen dairy、gelatin (pudding)、gravies、hard and soft candy、meat products.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Tonic、Industry Uses: Other、Fragrance、Consumer Uses: Fragrance、Household Products: Cosmetics product ingredient: 2、6-Octadien-1-ol、3、7-dimethyl-、1-acetate、(2E)- (Geranyl Acetate)、Geranyl 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: 4297、Information on 77 consumer products that contain Geranyl Acetate in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Inside the Home、• Personal Care、Methods of Manufacturing: Constituent of several essential oils、By heating geraniol and sodium acetate with acetic anhydride、N、N-Diethylgeranylamine、when heated with acetic anhydride at reflux temperature in the presence of anhydrous sodium acetate gives geranyl acetate in 59% yield.、Synthesis: from geraniol by acetylation or by fractional distillation of essential oils in which it is present.、Occurs in varying amounts in many essential oils: up to 60% in oils from Callitris and Eucalyptus species、and up to 14% in palmarosa oil. A smaller amount occurs in、for example、geranium、citronella、petitgrain、and lavender oils.、Formulations、Preparations: Grade: Technical、FCC.、Consumption Patterns: Consumption (U.S.): Annual: 3933.33 lb. (From the PAFA database、originating from the NAS survey of 1987 and assumes only 60% of poundage was reported.) Individual: 0.003333 mg、kg、day、Use in fragrances in the USA amounts to less than 100、000 lbs、yr、USE IN FRAGRANCES、APPROX 4.54X10+7 GR、YR (1974)、World consumption has been estimated at 650 tpa、U.S. Production: 2023: 8、500、000 - <10、000、000 lb、2022: 8、2021: 8、2020: 10、000 - <25、(1985) 5.90X10+7 g、132、000 kg (1993)、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#1687]、General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing、Other (requires additional information)、Soap、Cleaning Compound、and Toilet Preparation Manufacturing、2、(2E)-: ACTIVE、1-Octanol、tetradehydro deriv.: INACTIVE、Reported uses: non-alcoholic beverages 5.68 ppm、frozen dairy 13.60 ppm、hard candy 17.86 ppm、baked goods 29.94 ppm、gelatins & puddings 11.41 ppm、chewing gum 32.75 ppm、syrups 1.0 ppm.、In public use before the 1920s.、Chemical irritants useful as repellents for brown treesnakes (Boiga irregularis) were identified. ... 10 g、L solutions delivered as aerosols of m-anisaldehyde、trans-anethole、cineole、cinnamaldehyde、citral、ethyl phenylacetate、eugenol、geranyl acetate or methyl salicylate all acted as potent irritants for brown treesnakes. |
登记用途：Uses: Occurs in several essential oils、Used in perfumes and flavors、[Hawley]、Perfumery、flavoring、Used as a synthetic flavoring substance and adjuvant.、Used frequently in perfumery to create not only flowery-fruity nuances (example、rose)、but also for citrus and lavender notes. A small amount is added to fruit aromas for shading.、Widely used in perfume compositions as a sweetener and modifier in floral、fruit、herbaceous and Citrusy fragrance types. Used in flavor composition for a great variation of types: apricot、apple、banana、blackcurrant、gooseberry、ginger ale、grape、honey、lemon、peach、pear、lime、wine、and in various spice complexes、berry variations、and floral flavor types.、Reported uses: Alcoholic and nonalcoholic beverages、baked goods、chewing gum、frozen dairy、gelatin (pudding)、gravies、hard and soft candy、meat products.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Tonic、Industry Uses: Other、Fragrance、Consumer Uses: Fragrance、Household Products: Cosmetics product ingredient: 2、6-Octadien-1-ol、3、7-dimethyl-、1-acetate、(2E)- (Geranyl Acetate)、Geranyl 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: 4297、Information on 77 consumer products that contain Geranyl Acetate in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Inside the Home、• Personal Care、Methods of Manufacturing: Constituent of several essential oils、By heating geraniol and sodium acetate with acetic anhydride、N、N-Diethylgeranylamine、when heated with acetic anhydride at reflux temperature in the presence of anhydrous sodium acetate gives geranyl acetate in 59% yield.、Synthesis: from geraniol by acetylation or by fractional distillation of essential oils in which it is present.、Occurs in varying amounts in many essential oils: up to 60% in oils from Callitris and Eucalyptus species、and up to 14% in palmarosa oil. A smaller amount occurs in、for example、geranium、citronella、petitgrain、and lavender oils.、Formulations、Preparations: Grade: Technical、FCC.、Consumption Patterns: Consumption (U.S.): Annual: 3933.33 lb. (From the PAFA database、originating from the NAS survey of 1987 and assumes only 60% of poundage was reported.) Individual: 0.003333 mg、kg、day、Use in fragrances in the USA amounts to less than 100、000 lbs、yr、USE IN FRAGRANCES、APPROX 4.54X10+7 GR、YR (1974)、World consumption has been estimated at 650 tpa、U.S. Production: 2023: 8、500、000 - <10、000、000 lb、2022: 8、2021: 8、2020: 10、000 - <25、(1985) 5.90X10+7 g、132、000 kg (1993)、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#1687]、General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing、Other (requires additional information)、Soap、Cleaning Compound、and Toilet Preparation Manufacturing、2、(2E)-: ACTIVE、1-Octanol、tetradehydro deriv.: INACTIVE、Reported uses: non-alcoholic beverages 5.68 ppm、frozen dairy 13.60 ppm、hard candy 17.86 ppm、baked goods 29.94 ppm、gelatins & puddings 11.41 ppm、chewing gum 32.75 ppm、syrups 1.0 ppm.、In public use before the 1920s.、Chemical irritants useful as repellents for brown treesnakes (Boiga irregularis) were identified. ... 10 g、L solutions delivered as aerosols of m-anisaldehyde、trans-anethole、cineole、cinnamaldehyde、citral、ethyl phenylacetate、eugenol、geranyl acetate or methyl salicylate all acted as potent irritants for brown treesnakes.。
乙酸香叶酯 是一种化工化合物，登记 CAS 号为 105-87-3，分子式 C12H20O2（分子量 196.29）。
登记 CAS 号：105-87-3
其分子式 C12H20O2 由 12 个碳、20 个氢、2 个氧 组成。
别名/同义词：乙酸香叶酯 · Geranyl Acetate
乙酸香叶酯 的 CAS 登记号为 105-87-3。
分子式 C12H20O2，分子量 196.29。
别名/同义词：乙酸香叶酯、Geranyl Acetate。
登记用途：Uses: Occurs in several essential oils、Used in perfumes and flavors、[Hawley]、Perfumery、flavoring、Used as a synthetic flavoring substance and adjuvant.、Used frequently in perfumery to create not only flowery-fruity nuances (example、rose)、but also for citrus and lavender notes. A small amount is added to fruit aromas for shading.、Widely used in perfume compositions as a sweetener and modifier in floral、fruit、herbaceous and Citrusy fragrance types. Used in flavor composition for a great variation of types: apricot、apple、banana、blackcurrant、gooseberry、ginger ale、grape、honey、lemon、peach、pear、lime、wine、and in various spice complexes、berry variations、and floral flavor types.、Reported uses: Alcoholic and nonalcoholic beverages、baked goods、chewing gum、frozen dairy、gelatin (pudding)、gravies、hard and soft candy、meat products.、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Tonic、Industry Uses: Other、Fragrance、Consumer Uses: Fragrance、Household Products: Cosmetics product ingredient: 2、6-Octadien-1-ol、3、7-dimethyl-、1-acetate、(2E)- (Geranyl Acetate)、Geranyl 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: 4297、Information on 77 consumer products that contain Geranyl Acetate in the following categories is provided:、• Auto Products、• Commercial、Institutional、• Inside the Home、• Personal Care、Methods of Manufacturing: Constituent of several essential oils、By heating geraniol and sodium acetate with acetic anhydride、N、N-Diethylgeranylamine、when heated with acetic anhydride at reflux temperature in the presence of anhydrous sodium acetate gives geranyl acetate in 59% yield.、Synthesis: from geraniol by acetylation or by fractional distillation of essential oils in which it is present.、Occurs in varying amounts in many essential oils: up to 60% in oils from Callitris and Eucalyptus species、and up to 14% in palmarosa oil. A smaller amount occurs in、for example、geranium、citronella、petitgrain、and lavender oils.、Formulations、Preparations: Grade: Technical、FCC.、Consumption Patterns: Consumption (U.S.): Annual: 3933.33 lb. (From the PAFA database、originating from the NAS survey of 1987 and assumes only 60% of poundage was reported.) Individual: 0.003333 mg、kg、day、Use in fragrances in the USA amounts to less than 100、000 lbs、yr、USE IN FRAGRANCES、APPROX 4.54X10+7 GR、YR (1974)、World consumption has been estimated at 650 tpa、U.S. Production: 2023: 8、500、000 - <10、000、000 lb、2022: 8、2021: 8、2020: 10、000 - <25、(1985) 5.90X10+7 g、132、000 kg (1993)、Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#1687]、General Manufacturing Information: All Other Chemical Product and Preparation Manufacturing、Other (requires additional information)、Soap、Cleaning Compound、and Toilet Preparation Manufacturing、2、(2E)-: ACTIVE、1-Octanol、tetradehydro deriv.: INACTIVE、Reported uses: non-alcoholic beverages 5.68 ppm、frozen dairy 13.60 ppm、hard candy 17.86 ppm、baked goods 29.94 ppm、gelatins & puddings 11.41 ppm、chewing gum 32.75 ppm、syrups 1.0 ppm.、In public use before the 1920s.、Chemical irritants useful as repellents for brown treesnakes (Boiga irregularis) were identified. ... 10 g、L solutions delivered as aerosols of m-anisaldehyde、trans-anethole、cineole、cinnamaldehyde、citral、ethyl phenylacetate、eugenol、geranyl acetate or methyl salicylate all acted as potent irritants for brown treesnakes.。
乙酸香叶酯（CAS 105-87-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 105-87-3 |
|---|---|
| PubChem CID | 1549026 |
| Molecular formula | C12H20O2 |
| IUPAC name | [(2E)-3,7-dimethylocta-2,6-dienyl] acetate |
| UNII (FDA) | 3W81YG7P9R |
| FEMA number | 2509 |
| JECFA number | 58 |
| Molecular Weight | 196.29 |
|---|---|
| XLogP3 | 3.5 |
| 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 | 468 °F at 760 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 240.00 to 245.00 °C. @ 760.00 mm Hg |
| Boiling Point | 240-245 °C |
| Melting Point | < 25 °C |
| Flash Point | >212 °F (>100 °C) closed cup |
| Density | 0.9174 at 15 °C/15 °C |
| Density | 0.900-0.914 |
| Vapor Pressure | 0.03 [mmHg] |
| LogP | log Kow = 4.04 |
| LogP | 4.04 |
GERANYL ACETATE; 105-87-3; Geranyl ethanoate; Geranyl acetate A; [(2E)-3,7-dimethylocta-2,6-dienyl] acetate; Acetic acid, geraniol ester; trans-3,7-Dimethyl-2,6-octadien-1-yl acetate; trans-Geraniol acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-; (E)-3,7-Dimethylocta-2,6-dien-1-yl acetate; NCI-C54728; trans-geranyl acetate; (2E)-3,7-dimethylocta-2,6-dien-1-yl acetate; FEMA No. 2509; DTXSID0020654; FEMA Number 2509
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Lavender, Rose JECFA ADI: 0-0.5 mg/kg bw (1979) |
|---|
| Reported hazard statements | H315 (79.8%), H317 (77.6%), H411 (20.5%), H412 (77.2%) |
|---|
H315 (79.8%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (77.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Geranyl Acetate · CAS 105-87-3 · C12H20O2. UNII 3W81YG7P9R. Boiling Point: 468 °F at 760 mmHg (NTP, 1992); Boiling Point: 240.00 to 245.00 °C. @ 760.00 mm Hg; Boiling Point: 240-245 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Geranyl Acetate