1-Octen-3-ol - CAS 3391-86-4

Catalog:	BB021895
Product Name:	1-Octen-3-ol
CAS:	3391-86-4
Synonyms:	(±)-1-Octen-3-ol; 1-Vinylhexanol; 3-Hydroxy-1-octene; Amyl vinyl carbinol; dl-1-Octen-3-ol; Moguchun; Morillol; Morrilol; n-Oct-1-en-3-ol; NSC 87563; Omega; Pentylvinylcarbinol; Primaverol; Vinyl amyl carbinol

Technical Data

Related CAS:	50999-79-6 (Deleted CAS)
IUPAC Name:	oct-1-en-3-ol
Description:	1-Octen-3-ol, one of the volatiles responsible for mold odor, can be used in combination with carbon dioxide to attract insects in order to kill them. In animal studies, it has been shown to interfere with dopamine transport in the brain of fruit flies, so it might be an environmental agent involved in Parkinsonism.
Molecular Weight:	128.21
Molecular Formula:	C8H16O
Canonical SMILES:	CCCCCC(C=C)O
InChI:	InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
InChI Key:	VSMOENVRRABVKN-UHFFFAOYSA-N
Boiling Point:	55.0-55.5°C at 5 Torr
Melting Point:	-49°C
Flash Point:	68°C
Purity:	≥95%
Density:	0.8324 g/cm3
Solubility:	Soluble in Acetonitrile (Slightly), Chloroform, Ethyl Acetate (Slightly)
Appearance:	Colorless to pale yellow liquid
Storage:	Store at 2-8°C
MDL:	MFCD00004589
LogP:	2.11360
Refractive Index:	1.434 : 1.442 at 20 deg C
Stability:	Stable under normal temperatures and pressures.

GHS Hazard Statement:	H302 (96.97%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113499290-A	Composition with relieving and repairing effects and preparation method and application thereof	20210715
CN-113455642-A	Preparation method of steam-exploded peanut shell and peanut soy sauce product	20210714
CN-113413336-A	Whitening composition added with matsutake fermentation extract as well as preparation method and application of whitening composition	20210705
CN-113462508-A	Double-antler medicinal liquor and preparation method thereof	20210610
CN-113512156-A	Slow-setting slump-retaining water reducer and preparation method thereof	20210602

PMID	Publication Date	Title	Journal
23122097	20130115	GC/MS analysis of volatiles obtained by headspace solid-phase microextraction and simultaneous-distillation extraction from Rabdosia serra (MAXIM.) HARA leaf and stem	Food chemistry
23017416	20130101	Determination of volatile compounds in New Zealand Greenshell™ mussels (Perna canaliculus) during chilled storage using solid phase microextraction gas chromatography-mass spectrometry	Food chemistry
22925715	20121201	Electrophysiological responses of the olfactory receptors of the tick Amblyomma cajennense (Acari: Ixodidae) to host-related and tick pheromone-related synthetic compounds	Acta tropica
22986207	20121201	Evaluation of fast volatile analysis for detection of Botrytis cinerea infections in strawberry	Food microbiology
22970999	20121101	Decaying mouse volatiles perceived by Calliphora vicina Rob.-Desv	Journal of forensic sciences

Complexity:	69
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
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:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6