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(-)-Isopulegol

(-)-Isopulegol structure

CAS No:
89-79-2
Formula:
C10H18O
Chemical Name:
(-)-Isopulegol
Synonyms:
Cyclohexanol,5-methyl-2-(1-methylethenyl)-,(1R,2S,5R)-;p-Menth-8-en-3-ol,(1R,3R,4S)-(-)-;Cyclohexanol,5-methyl-2-(1-methylethenyl)-,[1R-(1α,2β,5α)]-;(1R,2S,5R)-5-Methyl-2-(1-methylethenyl)cyclohexanol;Isopulegol;(-)-Isopulegol;l-Isopulegol;iso-Pulegol;(-)-L-Isopulegol;L-Isopulegol;Isopugenol I;(1R,2S,5R)-(-)-Isopulegol;(1R,2S,5R)-2-Isopropenyl-5-methylcyclohexanol;trans-Isoperitenol;Isopulegol I;Coolact;18674-66-3
Categories:
Cosmetic Ingredient > Fragrance Ingredient

Description

Isopulegol is a cyclic nonaromatic alcohol. Water-white liquid; mint-like odor. Combustible. Available forms: The acetate.

Solid|Colourless liquid, minty-herbaceous, bitter-sweet, harsh, camphoraceous odour

Isopulegol is a p-menthane monoterpenoid. It has a role as a metabolite.

(-)-Isopulegol Basic Attributes

Molecular Weight：

154.25

Exact Mass：

154.25

EC Number：

201-940-6

UNII：

3TH92O3BXN

NSC Number：

1263

DSSTox ID：

DTXSID5047116

HScode：

2906199090

Characteristics

PSA：

20.2

XLogP3：

2.35960

Appearance：

Solid

Density：

0.911 g/cm³ @ Temp: 20 °C

Melting Point：

78 °C

Boiling Point：

93-94 °C

Flash Point：

195 °F

Refractive Index：

n20/D 1.471(lit.)

Water Solubility：

slightly soluble in water; soluble in oils

Storage Conditions：

-20°C

Safety Information

Transport codes：

NA 1993 / PGIII

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 1801 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P305+P351+P338, P310, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 10 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H351: Suspected of causing cancer [Warning Carcinogenicity]|P201, P202, P260, P264, P270, P281, P308+P313, P314, P405, and P501

Drug Information

MeSH Entry Terms：

isopulegol

(-)-Isopulegol Use and Manufacturing

Uses

Perfumery (geranium and rose compounds), flavoring.

Manufacturing Info：

Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-: ACTIVE

Use Classification：

EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues|Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:154.25
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:154.135765193
Monoisotopic Mass:154.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:151
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 89-79-2

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Guide of (-)-Isopulegol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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(-)-Isopulegol

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