(±)-1-Hepten-3-ol
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(±)-1-Hepten-3-ol
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CAS No:
4938-52-7
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Formula:
C7H14O
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Chemical Name:
(±)-1-Hepten-3-ol
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Synonyms:
1-Hepten-3-ol;(±)-1-Hepten-3-ol;NSC 93797;1-Vinylpentanol;67928-91-0
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CAS No:
Description
liquid Colorless liquid; green strong aroma at high concentration, but fatty, buttery aroma at low dilution.
Colourless liquid; Green strong aroma at high concentration but fatty buttery aroma at low dilution
Characteristics
20.2
1.72350
liquid
0.835 g/cm3 @ Temp: 22 °C
26°C (estimate)
153.5-154 °C
129 °F
n20/D 1.433(lit.)
Insoluble in water; soluble in hexane and diethylether|Soluble (in ethanol)
Safety Information
III
3
UN 1987 3/PG 3
3
R10
S16-S26-S36/37/39
Xi
Stable. Flammable. Incompatible with strong oxidizing agents.
P261-P305 + P351 + P338
H226-H315-H319-H335
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1416 companies from 3 notifications to the ECHA C&L Inventory.
(±)-1-Hepten-3-ol Use and Manufacturing
1-Hepten-3-ol: ACTIVE
Food additives -> Flavoring Agents
Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;
Computed Properties
Molecular Weight:114.19
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:114.104465066
Monoisotopic Mass:114.104465066
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:59.4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes