trans-3-Methyl-2-pentene - CAS 616-12-6

Catalog:	BB031192
Product Name:	trans-3-Methyl-2-pentene
CAS:	616-12-6
Synonyms:	2-Pentene, 3-methyl-, (2E)-; (2E)-3-Methyl-2-pentene; 2-Pentene, 3-methyl-, (E)-; 2-Pentene, 3-methyl-, trans-; (E)-3-Methyl-2-pentene; NSC 73912

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Computed Properties

Related CAS:	922-61-2 (rac-isomer) 922-62-3 (Z-isomer)
IUPAC Name:	(E)-3-methylpent-2-ene
Molecular Weight:	84.16
Molecular Formula:	C6H12
Canonical SMILES:	CCC(=CC)C
InChI:	InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4+
InChI Key:	BEQGRRJLJLVQAQ-GQCTYLIASA-N
Boiling Point:	70.4°C
Melting Point:	-138.5°C
Density:	0.695±0.06 g/cm3
LogP:	2.36260

Publication Number	Title	Priority Date
TW-202106192-A	Helmet	20190624
WO-2020187953-A1	Process to recover 3-methyl-but-3-en-1-ol	20190321
US-2020299130-A1	Heterogeneous hydrogen-catalyst reactor	20190319
EP-3686177-A1	Method and device for manufacturing alpha olefins	20190128
WO-2020157034-A1	Process and plant for producing alpha olefins	20190128

PMID	Publication Date	Title	Journal
15962036	20050621	Gas-phase rate coefficients for the reactions of nitrate radicals with (Z)-pent-2-ene, (E)-pent-2-ene, (Z)-hex-2-ene, (E)-hex-2-ene, (Z)-hex-3-ene, (E)-hex-3-ene and (E)-3-methylpent-2-ene at room temperature	Physical chemistry chemical physics : PCCP
15932304	20050610	Confined space-controlled hydroperoxidation of trisubstituted alkenes adsorbed on pentasil zeolites	The Journal of organic chemistry

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Related Functional Groups

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[57693-77-3]
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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	51.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	84.093900383
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	84.093900383
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7