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3-Hexenoic acid

3-Hexenoic acid structure

3-Hexenoic acid 

structure

Description

3-Hexenoic acid has a diffusive, cheese odor, mildly fruity. clear colorless to light yellow liquid

3-Hexenoic acid Basic Attributes

114.14

114.14

224-157-1

DTXSID5063362

29161995

Characteristics

37.30000

1.42730

0.9626 g/cm3 @ Temp: 14 °C

12 °C

208 °C

106.4ºC

1.455

Safety Information

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 115 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Hexenoic acid Use and Manufacturing

Methods of Manufacturing

It is formed by the condensation of butyraldehyde and malonic acid.

Uses

GB 2760-96 stipulates the permitted food spices.

3-Hexenoic acid: ACTIVE

Food additives -> Flavoring Agents

Flavoring Agents

Computed Properties

Molecular Weight:114.14
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:114.068079557
Monoisotopic Mass:114.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:8
Complexity:94.7
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

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