3,4-Dihydroxy-1-butene - CAS 497-06-3

Catalog:	BB026799
Product Name:	3,4-Dihydroxy-1-butene
CAS:	497-06-3
Synonyms:	but-3-ene-1,2-diol

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	but-3-ene-1,2-diol
Description:	Decomposition product of Erythritol.
Molecular Weight:	88.11
Molecular Formula:	C4H8O2
Canonical SMILES:	C=CC(CO)O
InChI:	InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2
InChI Key:	ITMIAZBRRZANGB-UHFFFAOYSA-N
Boiling Point:	196.5 °C at 760 mmHg
Density:	1.047 g/cm³
Appearance:	Colourless oil
LogP:	-0.47440
Vapor Pressure:	0.24 [mmHg]

Publication Number	Title	Priority Date
CN-113201233-A	Photochromic organic pigment and preparation method thereof	20210429
CN-112574168-A	Preparation method of ethylene-based ethylene sulfite	20201221
CN-112670573-A	Lithium ion electrolyte and lithium ion battery	20201214
CN-112126396-A	Adhesive for improving adhesive property of heat insulating layer and lining and preparation and use methods thereof	20200923
CN-111650315-A	Method for detecting alcohol metabolites of butadiene by using fluorescence derivatization-high performance liquid chromatography	20200615

PMID	Publication Date	Title	Journal
22698567	20120918	DNA damage induced by three major metabolites of 1,3-butadiene in human hepatocyte L02 cells	Mutation research
20007191	20100301	Quantitative investigation on the metabolism of 1,3-butadiene and of its oxidized metabolites in once-through perfused livers of mice and rats	Toxicological sciences : an official journal of the Society of Toxicology
19939351	20100126	Synthesis of 3-vinyl-2,5-dihydrofuran ring system via enyne metathesis	Carbohydrate research
22163605	20100101	Small molecule immunosensing using surface plasmon resonance	Sensors (Basel, Switzerland)
19764821	20090901	Cob(I)alamin for trapping butadiene epoxides in metabolism with rat S9 and for determining associated kinetic parameters	Chemical research in toxicology

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
Signal Word:	Warning

Complexity:	42.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	88.052429494
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	88.052429494
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5