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Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester

Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester structure

CAS No:
16491-24-0
Formula:
C10H16O2
Chemical Name:
Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester
Synonyms:
Propanoic acid,2-methyl-,2,4-hexadien-1-yl ester;Isobutyric acid,2,4-hexadienyl ester;Propanoic acid,2-methyl-,2,4-hexadienyl ester;2,4-Hexadien-1-ol,isobutyrate;2,4-Hexadienyl isobutyrate;NSC 195147
Categories:
Cosmetic Ingredient > Perfuming

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Description

Light yellow liquid; Sweet, pineapple aroma with cinnamon undertones

Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester Basic Attributes

Molecular Weight：

168.23300

Exact Mass：

168.23

EC Number：

240-551-6

DSSTox ID：

DTXSID4047414

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

2.31790

Density：

0.91g/cm3

Boiling Point：

58-59 °C @ Press: 1 Torr

Flash Point：

85.5ºC

Refractive Index：

1.456

Water Solubility：

Practically insoluble or insoluble in water|Soluble (in ethanol)

Vapor Pressure：

0.104mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 126 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester Use and Manufacturing

Manufacturing Info：

Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester: ACTIVE

Use Classification：

Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:168.23
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:168.115029749
Monoisotopic Mass:168.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:178
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester

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

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