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(2E,4E)-2,4-Hexadien-1-ol

(2E,4E)-2,4-Hexadien-1-ol structure

CAS No:
17102-64-6
Formula:
C6H10O
Chemical Name:
(2E,4E)-2,4-Hexadien-1-ol
Synonyms:
2,4-Hexadien-1-ol,(2E,4E)-;2,4-Hexadien-1-ol,(E,E)-;(2E,4E)-2,4-Hexadien-1-ol;trans-2,4-Hexadienol;trans,trans-2,4-Hexadien-1-ol;Sorbic alcohol;Sorbinic alcohol;Sorbyl alcohol;Sorbinol;(E,E)-2,4-Hexadien-1-ol;(2E,4E)-Hexa-2,4-dien-1-ol
Categories:
Specialty Chemicals

Description

clear colorless to light yellow liquid

colourless solid; green, vegetable aroma

(2E,4E)-2,4-hexadien-1-ol is a medium-chain primary fatty alcohol that is hexan-1-ol with two trans double bonds at positions 2 and 4. It has a role as a fragrance and a flavouring agent. It is a primary allylic alcohol, a medium-chain primary fatty alcohol and an alkenyl alcohol.

(2E,4E)-2,4-Hexadien-1-ol Basic Attributes

Molecular Weight：

98.14

Exact Mass：

98.14

BRN：

1719718

EC Number：

241-173-4

UNII：

11CF2E3HNG

DSSTox ID：

DTXSID3047631

HScode：

29052990

Characteristics

PSA：

20.2

XLogP3：

1.36

Appearance：

Clear colorless to light yellow Liquid After Melting

Density：

0.884 g/cm³ @ Temp: 18 °C

Melting Point：

30.5 °C

Boiling Point：

76-77 °C @ Press: 12 Torr

Flash Point：

162 °F

Refractive Index：

n 20/D 1.5(lit.)

Water Solubility：

Slightly miscible with water.

Vapor Density：

>1 (vs air)

Safety Information

Hazard category：

6.1

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

21/22-38-41-36/37/38-36/38-21

safety instructions：

26-36-39-37/39-36/37

RTECS Number：

MM3325000

Marks：

Xn,Xi

Precautionary statement(s)：

P280-P302 + P352 + P312-P305 + P351 + P338

Hazard Statements：

H311-H315-H319

GHS Classification：

|Danger|H302 (99.61%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, and P501|Aggregated GHS information provided by 259 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2,4-hexadien-1-ol

(2E,4E)-2,4-Hexadien-1-ol Use and Manufacturing

Manufacturing Info：

2,4-Hexadien-1-ol: ACTIVE|2,4-Hexadien-1-ol, (2E,4E)-: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:98.14
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:98.073164938
Monoisotopic Mass:98.073164938
Topological Polar Surface Area:20.2
Heavy Atom Count:7
Complexity:72.2
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2E,4E)-2,4-Hexadien-1-ol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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(2E,4E)-2,4-Hexadien-1-ol

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