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2,4-Dimethyl-1,3-pentadiene

2,4-Dimethyl-1,3-pentadiene - CAS 1000-86-8

Catalog:	BB000067
Product Name:	2,4-Dimethyl-1,3-pentadiene
CAS:	1000-86-8
Synonyms:	2,4-dimethylpenta-1,3-diene

Technical Data

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Computed Properties

IUPAC Name:	2,4-dimethylpenta-1,3-diene
Description:	2,4-Dimethyl-1,3-pentadiene (CAS# 1000-86-8 ) is a useful research chemical.
Molecular Weight:	96.17
Molecular Formula:	C7H12
Canonical SMILES:	CC(=CC(=C)C)C
InChI:	InChI=1S/C7H12/c1-6(2)5-7(3)4/h5H,1H2,2-4H3
InChI Key:	CMSUNVGIWAFNBG-UHFFFAOYSA-N
Boiling Point:	94 °C (lit.)
Purity:	95 %
Density:	0.744 g/mL at 25 °C(lit.)
Appearance:	Clear colorless to light yellow liquid
Storage:	Flammables area
MDL:	MFCD00008903
LogP:	2.52870

Publication Number	Title	Priority Date
CN-113480690-A	Multi-component copolymer and preparation method thereof	20210818
CN-113292667-A	Multi-component copolymer and preparation method thereof	20210506
CN-112190504-A	Long-acting liquid gel containing rose essential oil and preparation method and application thereof	20201019
WO-2021195626-A1	The use of molecularly imprinted polymers for the rapid detection of emerging viral outbreaks	20200327
CN-113372629-A	Rubber composition for tire tread, and tire for passenger vehicle	20200310

PMID	Publication Date	Title	Journal
19791822	20091008	Study of the soret effect in hydrocarbon chain/aromatic compound mixtures	The journal of physical chemistry. B
17319670	20070321	Metallaborane reactivity. A stoichiometric mechanism for the insertion of two alkynes into an iridaborane framework via a disposable molybdenum chaperone	Journal of the American Chemical Society

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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, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	92.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	96.093900383
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	96.093900383
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3