2,4-Hexadien-1-ol
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2,4-Hexadien-1-ol
structure -
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CAS No:
111-28-4
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Formula:
C6H10O
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Chemical Name:
2,4-Hexadien-1-ol
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Synonyms:
2,4-Hexadien-1-ol;Hexacose;Hexakose;1-Hydroxy-2,4-hexadiene;n-Hex-2,4-dien-1-ol;2,4-Hexadienol
- Categories:
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CAS No:
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
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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