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Home > Encyclopedia > (±)-α-Terpinyl acetate

(±)-α-Terpinyl acetate

(±)-α-Terpinyl acetate structure

(±)-α-Terpinyl acetate 

structure
  • CAS No:

    80-26-2

  • Formula:

    C12H20O2

  • Chemical Name:

    (±)-α-Terpinyl acetate

  • Synonyms:

    3-Cyclohexene-1-methanol,α,α,4-trimethyl-,1-acetate;p-Menth-1-en-8-ol,acetate;3-Cyclohexene-1-methanol,α,α,4-trimethyl-,acetate;α-Terpineol acetate;α-Terpinyl acetate;Terpinyl acetate;2-(4-Methyl-3-cyclohexen-1-yl)-2-propyl acetate;(±)-α-Terpineol acetate;(±)-α-Terpinyl acetate;2-(4-Methylcyclohex-3-en-1-yl)propan-2-yl acetate;104806-93-1;10581-37-0;21090-64-2

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

α-Terpinyl acetate is a monoterpene ester isolated from Laurus nobilis L. essential oil. α-Terpinyl acetate is a competitive P450 2B6 substrate which binding to the active site of P450 2B6 with a Kd value of 5.4 μM[1][2].


Liquid|colourless liquid with a sweet, refreshing, herbaceous odour


Alpha-Terpinyl acetate is a p-menthane monoterpenoid.

(±)-α-Terpinyl acetate Basic Attributes

196.29

196.29

201-265-7

DTXSID2026496|DTXSID6051431

29153900

Characteristics

26.3

3.67

Liquid

0.967 g/cm3 @ Temp: 20 °C

112-113.5 °C

104-106 °C @ Press: 12 Torr

>230 °F

1.467

soluble in alcohol, most fixed oils, propylene glycol, mineral oil; slightly soluble in glycerol; insoluble in water

Safety Information

NONH for all modes of transport

2

36/38

26-36

OT0200000

Xi

P305 + P351 + P338

H315-H319

|H411 (96.59%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 1810 companies from 8 notifications to the ECHA C&L Inventory.|H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|Aggregated GHS information provided by 290 companies from 8 notifications to the ECHA C&L Inventory.|Not Classified

Drug Information

terpinyl acetate

(±)-α-Terpinyl acetate Use and Manufacturing

Methods of Manufacturing

Terpineol is reacted with acetic anhydride and anhydrous sodium acetate, the reactant is neutralized with alkali, washed with water, separated, dried, and distilled under reduced pressure to obtain a finished product. Use turpentine oil as raw material: Add a mixed aqueous solution of sulfuric acid and acetic acid to turpentine oil, keep the temperature at 45-50°C during mixing, and then place it at 30-40°C for several hours. Then add water to make the oil chromatograph out, neutralize with sodium carbonate solution after separation, and then distill under reduced pressure to obtain the product.

Uses

GB 2760-1996 stipulates the allowed use of edible spices. It is mainly used to prepare peach, plum, apricot, raspberry, cherry, round pomelo, zhongzhi, sage, cardamom, spices and citrus flavors.


Fragrance Ingredients|Odor agents


Air care products

Production

1,000,000 - 10,000,000 lb

All other chemical product and preparation manufacturing|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate: ACTIVE|Terpineol, acetate: ACTIVE|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate, (1S)-: INACTIVE|3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate, (1R)-: ACTIVE

EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern|Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]|Cosmetics -> Masking

Flavoring Agents

Computed Properties

Molecular Weight:196.29
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:196.146329876
Monoisotopic Mass:196.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:251
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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