3-Buten-2-ol - CAS 598-32-3

Catalog:	BB030518
Product Name:	3-Buten-2-ol
CAS:	598-32-3
Synonyms:	but-3-en-2-ol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	but-3-en-2-ol
Description:	3-Buten-2-ol (CAS# 598-32-3) is a useful compound in organic synthesis.
Molecular Weight:	72.11
Molecular Formula:	C4H8O
Canonical SMILES:	CC(C=C)O
InChI:	InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3
InChI Key:	MKUWVMRNQOOSAT-UHFFFAOYSA-N
Boiling Point:	96-97 °C
Melting Point:	-100 °C
Purity:	95 %
Density:	0.832 g/cm³
Appearance:	Colorless liquid
Storage:	Flammables area
MDL:	MFCD00004543
LogP:	0.55320

Publication Number	Title	Priority Date
CN-113289557-A	Organic matter fluorination gas-liquid reaction system	20210616
CN-113429378-A	1, 3-propane sultone methyl fluoro derivative and preparation method and application thereof	20210616
CN-112980032-A	Transparent, robust self-cleaning organic glass and manufacturing method thereof	20210423
CN-112940650-A	Water-based coating for lithium ion battery composite diaphragm, lithium ion battery composite diaphragm and lithium ion battery	20210203
CN-112851494-A	Preparation method of 1-pyrenebutyric acid	20210127

PMID	Publication Date	Title	Journal
22752178	20120901	Synthesis of short-chain diols and unsaturated alcohols from secondary alcohol substrates by the Rieske nonheme mononuclear iron oxygenase MdpJ	Applied and environmental microbiology
21987026	20111001	Population-related variation in plant defense more strongly affects survival of an herbivore than its solitary parasitoid wasp	Journal of chemical ecology
21857804	20110801	Combining genome-wide association mapping and transcriptional networks to identify novel genes controlling glucosinolates in Arabidopsis thaliana	PLoS biology
20482888	20100520	Transcript and protein profiling identify candidate gene sets of potential adaptive significance in New Zealand Pachycladon	BMC evolutionary biology
20210342	20100401	Kinetics and mechanism of chlorine-atom-initiated oxidation of allyl alcohol, 3-buten-2-ol, and 2-methyl-3-buten-2-ol	The journal of physical chemistry. A

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Related Functional Groups

Alkenes

[1120-36-1]
1-Tetradecene
[692278-80-1]
3-Allyl-1-(4-ethoxyphenyl)-2-thioxoimidazolidin-4-one
[828299-73-6]
3-Allyl-1-(4-methoxyphenyl)-2-thioxoimidazolidin-4-one
[373-49-9]
Palmitoleic acid
[1205-84-1]
Ethyl (3E)-4-phenyl-3-butenoate
[1192-37-6]
Methylenecyclohexane

GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P310, P302+P350, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	32.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	72.057514874
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	72.057514874
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6