1-Octanol acetate
Octyl acetate
CAS: 112-14-1
Molecular Formula: C10H20O2
1-Octanol acetate - Names and Identifiers
| Name | Octyl acetate |
| Synonyms | Acetate C-8 Octyl acetate 1-octylacetate caprylylacetate 1-Octyl acetate 1-octanolacetate n-Octyl Acetate Caprylyl acetate n-Octyl ethanoate 1-Octanol acetate Octyl alcohol acetate Acetic Acid Octyl Ester Acetic acid, octyl ester |
| CAS | 112-14-1 |
| EINECS | 203-939-6 |
| InChI | InChI=1/C10H20O2.C2H6O/c1-3-4-5-6-7-8-9-12-10(2)11;1-2-3/h3-9H2,1-2H3;3H,2H2,1H3 |
1-Octanol acetate - Physico-chemical Properties
| Molecular Formula | C10H20O2 |
| Molar Mass | 172.26 |
| Density | 0.868 |
| Melting Point | -38.5°C |
| Boling Point | 211°C(lit.) |
| Flash Point | 187°F |
| JECFA Number | 130 |
| Water Solubility | 33.69mg/L at 25℃ |
| Solubility | Slightly soluble in water, miscible in alcohol and ether. |
| Vapor Presure | 29.1Pa at 25℃ |
| Vapor Density | 5.9 (vs air) |
| Appearance | White crystal or powder |
| Color | Clear colorless |
| Odor | orange-jasmine odor |
| BRN | 1754554 |
| Storage Condition | 2-8℃ |
| Explosive Limit | 8.14% |
| Refractive Index | n20/D 1.418(lit.) |
| MDL | MFCD00009562 |
| Physical and Chemical Properties | |
| Use | Used as a solvent for resins, coatings, can also be used for edible spices |
1-Octanol acetate - Risk and Safety
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| RTECS | AJ1400000 |
| TSCA | Yes |
| HS Code | 29153900 |
| Toxicity | LD50 orl-rat: 3000 mg/kg AMIHBC 10,61,54 |
1-Octanol acetate - Reference
| Reference Show more | 1. [IF=4.35] Tian Lan et al."Analysis of the Aroma Chemical Composition of Commonly Planted Kiwifruit Cultivars in China."Foods. 2021 Jul;10(7):1645 |
1-Octanol acetate - Nature
Open Data Verified Data
colorless to yellowish liquid. It has fruit aroma and Ester aroma, like orange flower and Jasmine Flower. Soluble in a variety of organic solvents.
Last Update：2024-01-02 23:10:35
1-Octanol acetate - Preparation Method
Open Data Verified Data
obtained by acid-catalyzed esterification of N-octanol and acetic anhydride.
Last Update：2022-01-01 10:07:58
1-Octanol acetate - Application
Open Data Verified Data
found in a variety of natural essential oils, it has long been used in fragrance formulations. Because of a slight flower aroma and fat wax aroma, more prominent, for food drinks, fruit-flavor type of berries, nuts and brandy. It is used as soap essence, detergent essence, perfume essence, cream essence, etc.
Last Update：2025-08-19 16:24:40
1-Octanol acetate - Safety
Open Data Verified Data
rat acute oral LD50:5000mg/kg. Percutaneous LDso in rabbits exceeded 5g/kg. A large dose of rabbit skin 1 found mild irritation. 8% Vaseline paste on the human body test, coated two days did not occur irritation phenomenon. Flammable, sealed and stored in a cool place.
Last Update：2022-01-01 10:07:59
1-Octanol acetate - Reference Information
| FEMA | 2806 | OCTYL ACETATE |
| LogP | 3.81 |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | determined by method 1 in ester determination method (OT-18). The amount of sample taken is 1.1g. The equivalent factor (e) in the calculation is 86.14. Or by gas chromatography (GT-10-4) with non-polar column method. |
| toxicity | GRAS(FEMA). LD503000mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drink 1.6; Cold drink 0.87; Candy 4.7; Baked food 6.0. Moderate limit (FDA § 172.515,2000). |
| Use | It is often used in small amounts for jasmine, gardenia, sweet orange flowers, citrus, and iris fragrance. It is also used in trace amounts for edible flavors such as Rubus, strawberry, cherry, apple, lemon, peach, raw pear, brandy, etc. GB 2760-1996 provisions are allowed to use edible spices. Mainly used to prepare peaches, strawberries, raspberries, cherries, apples, lemons, citrus and other flavors. It is often used in small amounts for jasmine, gardenia, sweet orange flowers, citrus, and iris fragrance. It is also used in trace amounts for edible flavors such as Rubus, Strawberry, Cherry, Apple, Lemon, Peach, Pear, Brandy, etc. GB 2760-1996 regulations are allowed edible spices. Mainly used to prepare peaches, strawberries, raspberries, cherries, apples, lemons, citrus and other flavors; used as a solvent for resins and coatings, and can also be used for edible spices; used as a solvent. This product has the aroma of orange, jasmine and peach. Natural products exist in bitter orange, green tea, etc. It is an edible spice allowed by GB2760-86 regulations in China. It is mainly used to prepare peach, strawberry, raspberry, cherry, apple, lemon and citrus essence. Used as solvent. This product has the aroma of orange, jasmine and peach. Natural products exist in bitter orange, green tea, etc. It is an edible spice allowed by GB2760-86 regulations in China. It is mainly used to prepare peach, strawberry, raspberry, cherry, apple, lemon and citrus essence. |
| Production method | is obtained by esterification of octanol and acetic acid. Stir 32.5kg octanol, 16kg acetic acid, 19kg benzene and 250g sulfuric acid evenly. Heat for esterification. After recovering about 13kg of benzene, cool to below 30 ℃, wash away the acid with 5% sodium carbonate solution, and then wash with water. Dry with anhydrous sodium carbonate for more than 24h, then fractionate, and collect the 210-215 ℃ fraction as n-octyl acetate. It is obtained by acetylation of octanol. |
| spontaneous combustion temperature | 515 °F |
Last Update：2024-04-09 19:55:45
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View History
1-Octanol acetate
GLYCEROL (U-13C3)
BARIUM IODIDE
TAT (47-57)
Butyl cumyl peroxide
175702-33-7
黄 10 [CI 47005]
ithium trifL
GLYCEROL (U-13C3)
BARIUM IODIDE
TAT (47-57)
Butyl cumyl peroxide
175702-33-7
黄 10 [CI 47005]
ithium trifL