trans-2-Octen-1-ol - CAS 18409-17-1

Catalog:	BB014114
Product Name:	trans-2-Octen-1-ol
CAS:	18409-17-1
Synonyms:	(E)-oct-2-en-1-ol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(E)-oct-2-en-1-ol
Description:	trans-2-Octen-1-ol (CAS# 18409-17-1 ) is a useful research chemical.
Molecular Weight:	128.21
Molecular Formula:	C8H16O
Canonical SMILES:	CCCCCC=CCO
InChI:	InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3/b7-6+
InChI Key:	AYQPVPFZWIQERS-VOTSOKGWSA-N
Boiling Point:	206.75 °C (EPI 4.0)
Purity:	97.0 % (sum of isomers)
Density:	0.85 g/cm³
Solubility:	Insoluble in water; soluble in alcohol.
Appearance:	Colorless liquid
Storage:	Store tightly sealed under inert gas in a cool, well-ventilated area.
MDL:	MFCD00014057
LogP:	2.11520
Refractive Index:	1.441 : 1.449 at 20 deg C

Publication Number	Title	Priority Date
CN-113073007-A	Feicheng Hongli essence	20210426
CN-113088392-A	Feicheng Baili essence	20210426
CN-113088394-A	Zhongzhou honey peach essence	20210426
CN-113249171-A	White flower honey essence	20210426
CN-112939754-A	Method for catalyzing alcohol disproportionation by iodine	20210203

PMID	Publication Date	Title	Journal
22500425	20111201	[Analysis of essential oil extracted from Lactuca sativa seeds growing in Xinjiang by GC-MS]	Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials
21318397	20110301	Volatiles mediating a plant-herbivore-natural enemy interaction in resistant and susceptible soybean cultivars	Journal of chemical ecology
21243772	20100901	[Analysis of volatile oil from different parts of Litsea cubeba]	Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials
18266318	20080312	Correlation between the pattern volatiles and the overall aroma of wild edible mushrooms	Journal of agricultural and food chemistry
17323969	20070321	Differentiation of aroma characteristics of pine-mushrooms (Tricholoma matsutake Sing.) of different grades using gas chromatography-olfactometry and sensory analysis	Journal of agricultural and food chemistry

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	67
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	128.120115130
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.120115130
Rotatable Bond Count:	5
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5