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Home > Encyclopedia > 2,4-Hexadien-1-ol

2,4-Hexadien-1-ol

2,4-Hexadien-1-ol structure

2,4-Hexadien-1-ol 

structure
  • CAS No:

    111-28-4

  • Formula:

    C6H10O

  • Chemical Name:

    2,4-Hexadien-1-ol

  • Synonyms:

    2,4-Hexadien-1-ol;Hexacose;Hexakose;1-Hydroxy-2,4-hexadiene;n-Hex-2,4-dien-1-ol;2,4-Hexadienol

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Liquid; odor of green leaves 2,4-Hexadien-1-ol has a fresh green, vegetable aroma

2,4-Hexadien-1-ol Basic Attributes

98.14

98.14

241-173-4

DTXSID8047632

2905290000

Characteristics

20.2

1.11100

colourless solid; green, vegetable aroma

0.8967 g/cm3 @ Temp: 23 °C

30.5 °C

77-78 °C

162 °F

n 20/D 1.5(lit.)

Insoluble in water; Soluble in fat

0.281mmHg at 25°C

>1 (vs air)

Safety Information

I

6.1(a)

UN 2811 6.1/PG 3

3

21/22-38-41

26-36-39

MM3325000

Xn

P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, P501

H302

|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.

2,4-Hexadien-1-ol Use and Manufacturing

Uses

Odorant in perfumery.

Food additives -> Flavoring Agents

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
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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