trans-2-Penten-1-ol - CAS 1576-96-1

Catalog:	BB011346
Product Name:	trans-2-Penten-1-ol
CAS:	1576-96-1
Synonyms:	(E)-pent-2-en-1-ol

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Computed Properties

IUPAC Name:	(E)-pent-2-en-1-ol
Description:	trans-2-Penten-1-ol (CAS# 1576-96-1 ) is a useful research chemical.
Molecular Weight:	86.13
Molecular Formula:	C5H10O
Canonical SMILES:	CCC=CCO
InChI:	InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3+
InChI Key:	BTSIZIIPFNVMHF-ONEGZZNKSA-N
Boiling Point:	141.3 °C at 760 mmHg
Purity:	95 %
Density:	0.847 g/mL at 25 °C(lit.)
Appearance:	Colorless liquid
MDL:	MFCD00002926
LogP:	0.94490

Publication Number	Title	Priority Date
CN-111202197-A	Preparation method of highland barley fermented beverage and highland barley fermented beverage prepared by same	20200119
CN-111202207-A	Highland barley fermented food and preparation method thereof	20200119
CN-110951543-A	Fish oil and processing method and application thereof	20191126
AU-2018340868-A1	Isothiocyanate containing Brassicaceae products and method of preparation thereof	20170928
CA-3077235-A1	Isothiocyanate containing brassicaceae products and method of preparation thereof	20170928

PMID	Publication Date	Title	Journal
21169366	20110304	NADPH-dependent reductases involved in the detoxification of reactive carbonyls in plants	The Journal of biological chemistry
20141884	20100101	Fragrance material review on (Z)-2-penten-1-ol	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
19424533	20090501	Partial oxidation of allylic and primary alcohols with O(2) by photoexcited TiO(2)	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
18321051	20080409	Changes in virgin olive oil quality during low-temperature fruit storage	Journal of agricultural and food chemistry
18208515	20080401	Significance of terpenoids in induced indirect plant defence against herbivorous arthropods	Plant, cell & environment

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	39.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	86.073164938
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	86.073164938
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9