(±)-α-Terpinyl acetate
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(±)-α-Terpinyl acetate
structure -
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CAS No:
80-26-2
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Formula:
C12H20O2
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Chemical Name:
(±)-α-Terpinyl acetate
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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
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CAS No:
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
(±)-α-Terpinyl acetate Use and 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.
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
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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