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trans-2-Hexenoic acid

trans-2-Hexenoic acid structure

CAS No:
13419-69-7
Formula:
C6H10O2
Chemical Name:
trans-2-Hexenoic acid
Synonyms:
2-Hexenoic acid,(2E)-;2-Hexenoic acid,(E)-;(2E)-2-Hexenoic acid;trans-2-Hexenoic acid;(E)-2-Hexenoic acid
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

trans-2-Hexenoic acid has a pleasant, fatty, characteristic, long-lasting odor. white crystalline low melting solidChEBI: The (E)-stereoisomer of hexenoic acid.trans-2-Hexenoic acid has a pleasant fatty characteristic and is long-lasting. This substance may be synthesized by condensation of butyraldehyde with malonic acid.

Solid|Colourless needle-like crystals; Fatty acrid musty aroma/sweet on dilution

(2E)-hexenoic acid is the (E)-stereoisomer of hexenoic acid. It has a role as a metabolite. It is a conjugate acid of a (2E)-hexenoate.

trans-2-Hexenoic acid Basic Attributes

Molecular Weight：

114.14

Exact Mass：

114.14

BRN：

1720443

EC Number：

236-528-5

UNII：

VQ24908VRU

DSSTox ID：

DTXSID5061588

HScode：

29161900

Characteristics

PSA：

37.3

XLogP3：

1.6

Appearance：

White solid.

Density：

0.946945 g/cm³ @ Temp: 20 °C

Melting Point：

30-32 °C

Boiling Point：

98-102 °C @ Press: 8 Torr

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.438(lit.)

Water Solubility：

slightly|Soluble in ether, propylene glycol, and most fixed oils; Slightly soluble in water|Soluble (in ethanol)

Storage Conditions：

2-8°C

Vapor Density：

>1 (vs air)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2829 8/PG 3

wgk germany：

hazard class code：

safety instructions：

26-36/37/39-45-25

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|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 1504 companies from 5 notifications to the ECHA C&L Inventory.|Aggregated GHS information provided by 103 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

trans-2-Hexenoic acid Use and Manufacturing

Methods of Manufacturing

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

Uses

GB 2760-1996 stipulates the allowable food spices.

Manufacturing Info：

2-Hexenoic acid: INACTIVE|2-Hexenoic acid, (2E)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:114.14
XLogP3:1.6
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
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sorbic acid

Butanal

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trans-2-Hexenoic acid

CAS No.: 13419-69-7

Content: 99.00%

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Greenbo Biochem Contact Supplier

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CAS No.: 13419-69-7

Grade: Food Grade

Content: 99%

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Guide of trans-2-Hexenoic acid

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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trans-2-Hexenoic acid

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