5-Hexenoic acid - CAS 1577-22-6

Catalog:	BB011350
Product Name:	5-Hexenoic acid
CAS:	1577-22-6
Synonyms:	hex-5-enoic acid

Technical Data

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Computed Properties

IUPAC Name:	hex-5-enoic acid
Description:	5-Hexenoic acid (CAS# 1577-22-6) is a useful research chemical.
Molecular Weight:	114.14
Molecular Formula:	C6H10O2
Canonical SMILES:	C=CCCCC(=O)O
InChI:	InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2H,1,3-5H2,(H,7,8)
InChI Key:	XUDOZULIAWNMIU-UHFFFAOYSA-N
Boiling Point:	202.6 °C at 760 mmHg, 107 °C / 17 mmHg
Purity:	> 98.0 % (GC) (T)
Density:	0.973 g/cm³
Appearance:	Colorless to light yellow liquid
MDL:	MFCD00046558
LogP:	1.42730

Publication Number	Title	Priority Date
CN-113429376-A	Continuous synthesis method of epsilon-caprolactone	20210615
CN-112421046-A	Preparation method of single-ion conductive polymer composite material for lithium metal secondary battery	20201130
CN-111944142-A	Organic silicon surfactant, preparation method thereof and polyurethane foam	20200901
CN-111978801-A	Scraping type sand-in-water multicolor paint and preparation method thereof	20200819
CN-111978801-B	Scraping type sand-in-water multicolor paint and preparation method thereof	20200819

PMID	Publication Date	Title	Journal
22568728	20120601	Cobalt- versus ruthenium-catalyzed Alder-ene reaction for the synthesis of credneramide A and B	The Journal of organic chemistry
20846434	20100916	Production of functionalized polyhydroxyalkanoates by genetically modified Methylobacterium extorquens strains	Microbial cell factories
20615294	20100701	Molecular weight dependence of the thermal degradation of poly(epsilon-caprolactone): a thermogravimetric differential thermal Fourier transform infrared spectroscopy study	Applied spectroscopy
18830436	20080601	Subchronic treatment with antiepileptic drugs modifies pentylenetetrazol-induced seizures in mice: Its correlation with benzodiazepine receptor binding	Neuropsychiatric disease and treatment
17036149	20060921	A short enantioselective total synthesis of the phytotoxic lactone herbarumin III	Organic & biomolecular chemistry

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	86.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.068079557
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	114.068079557
Rotatable Bond Count:	4
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2