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3-Cyclohexene-1-carboxylic acid, 4-(1-methylethyl)-

3-Cyclohexene-1-carboxylic acid, 4-(1-methylethyl)- structure

CAS No:
71298-42-5
Formula:
C10H16O2
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 4-(1-methylethyl)-
Synonyms:
3-Cyclohexene-1-carboxylic acid, 4-(1-methylethyl)-;1,2,5,6-TETRAHYDROCUMINICACID;4-(1-methylethyl)-3-cyclohexene-1-carboxylic acid;Fema no. 3731
Categories:
Cosmetic Ingredient > Perfuming

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Description

Crystalline solid; cuminic, sweaty odour

1,2,5,6-Tetrahydrocuminic acid has a cuminic, sweaty odor.

ChEBI: 4-Isopropyl-3-cyclohexene-1-carboxylic acid is a p-menthane monoterpenoid.

3-Cyclohexene-1-carboxylic acid, 4-(1-methylethyl)- Basic Attributes

Molecular Weight：

168.23

Exact Mass：

168.23

TSCA：

TSCA listed

Characteristics

PSA：

37.3 Å²

Water Solubility：

Slightly soluble in water (0.01%); soluble in fats (10% in vegetable oil)|Soluble at room temperature (in ethanol)

Odor：

at 100.00 %. animalic cumin sweaty

Drug Information

MeSH Entry Terms：

1,2,5,6-tetrahydrocuminic acid

3-Cyclohexene-1-carboxylic acid, 4-(1-methylethyl)- Use and Manufacturing

Manufacturing Info：

3-Cyclohexene-1-carboxylic acid, 4-(1-methylethyl)-: INACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:168.23
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:168.115029749
Monoisotopic Mass:168.115029749
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:204
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Cyclohexene-1-carboxylic acid, 4-(1-methylethyl)-

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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