5-Hexen-1-ol - CAS 821-41-0

Catalog:	BB036766
Product Name:	5-Hexen-1-ol
CAS:	821-41-0
Synonyms:	hex-5-en-1-ol

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Computed Properties

IUPAC Name:	hex-5-en-1-ol
Description:	5-Hexen-1-ol (CAS# 821-41-0) is a volatile organic compound that can be found in Brazilian chilli peppers (Capsicum spp.).
Molecular Weight:	100.16
Molecular Formula:	C6H12O
Canonical SMILES:	C=CCCCCO
InChI:	InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2
InChI Key:	UIZVMOZAXAMASY-UHFFFAOYSA-N
Boiling Point:	78-80 °C25 mmHg (lit.)
Purity:	95 %
Density:	0.834 g/cm³
Appearance:	Clear colourless liquid
Storage:	Flammables area
MDL:	MFCD00002981
LogP:	1.33500

Publication Number	Title	Priority Date
CN-113336875-A	Application of isopropanol cleaning waste liquid treatment liquid	20210610
CN-113333173-A	Beneficiation reagent for tin ore flotation tin and preparation method thereof	20210513
CN-113333175-A	Beneficiation reagent for niobium flotation of niobium ores and preparation method thereof	20210513
CN-112939807-A	Alkyl aryl asymmetric azo and synthesis method thereof	20210202
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PMID	Publication Date	Title	Journal
11838977	20010101	Total synthesis of (+/-) tanikolide	Natural product letters

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GHS Hazard Statement:	H226 (49.02%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	41.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.088815002
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	100.088815002
Rotatable Bond Count:	4
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4