3-Methyl-1-penten-3-ol - CAS 918-85-4

Catalog:	BB040374
Product Name:	3-Methyl-1-penten-3-ol
CAS:	918-85-4
Synonyms:	3-methylpent-1-en-3-ol

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Computed Properties

IUPAC Name:	3-methylpent-1-en-3-ol
Description:	3-Methyl-1-penten-3-ol (CAS# 918-85-4 ) is a useful research chemical.
Molecular Weight:	100.16
Molecular Formula:	C6H12O
Canonical SMILES:	CCC(C)(C=C)O
InChI:	InChI=1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3
InChI Key:	HFYAEUXHCMTPOL-UHFFFAOYSA-N
Boiling Point:	115.9 °C at 760 mmHg
Density:	0.838 g/mL at 25 °C(lit.)
LogP:	1.33340

Publication Number	Title	Priority Date
WO-2021195626-A1	The use of molecularly imprinted polymers for the rapid detection of emerging viral outbreaks	20200327
WO-2021192100-A1	Silicone composition for release sheets, and release sheet	20200325
WO-2021178774-A1	Compositions and systems for disinfection	20200305
WO-2021172066-A1	Curable fluoropolyether adhesive composition and optical part	20200226
CN-111254712-A	Fluorine-free waterproof breathable fabric and preparation method thereof	20200117

PMID	Publication Date	Title	Journal
22316013	20120621	Studies of the gas phase reactions of linalool, 6-methyl-5-hepten-2-ol and 3-methyl-1-penten-3-ol with O3 and OH radicals	The journal of physical chemistry. A
22194447	20120301	Bacterial degradation of tert-amyl alcohol proceeds via hemiterpene 2-methyl-3-buten-2-ol by employing the tertiary alcohol desaturase function of the Rieske nonheme mononuclear iron oxygenase MdpJ	Journal of bacteriology
14995156	20040310	Selective hydrogenation by Pd nanoparticles embedded in polyelectrolyte multilayers	Journal of the American Chemical Society

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	68.6
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:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3