Isopulegyl acetate
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Isopulegyl acetate
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CAS No:
57576-09-7
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Formula:
C12H20O2
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Chemical Name:
Isopulegyl acetate
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Synonyms:
Cyclohexanol,5-methyl-2-(1-methylethenyl)-,1-acetate,(1R,2S,5R)-;Cyclohexanol,5-methyl-2-(1-methylethenyl)-,acetate,[1R-(1α,2β,5α)]-;Cyclohexanol,5-methyl-2-(1-methylethenyl)-,acetate,(1R,2S,5R)-;Isopulegol acetate;Isopulegyl acetate;(-)-Isopulegyl acetate;(-)-Isopulegol acetate;NSC 71930
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CAS No:
Description
Colourless liquid, fresh, green-minty, leafy, sweet fruity odour
Isopulegol acetate is a p-menthane monoterpenoid.
Characteristics
26.3 Ų
4.930 (est)
0.939 g/cm3 @ Temp: 20 °C
85 °C
96-98 °C @ Press: 10 Torr
1.454-1.457
0.4931 mg/L @ 25 °C (est)|insoluble in water; soluble in oils|miscible (in ethanol)
Safety Information
Not Classified| |Danger|H351: Suspected of causing cancer [Warning Carcinogenicity]|P201, P202, P260, P264, P270, P281, P308+P313, P314, P405, and P501
Isopulegyl acetate Use and Manufacturing
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, 1-acetate, (1R,2S,5R)-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:196.29
XLogP3:3.5
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:233
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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