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1,3-Pentadiene,2,4-dimethyl-

CAS number：1000-86-8    molecular formula：C7H12

overview
Specs
numbering system
physicochemical properties
Safety information
Production methods and uses
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MSDS
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overview

compound introduction

Specs

Chinese alias-
English alias1,1,3-Trimethylbutadiene; 2,4-Dimethyl-1,3-pentadiene; 2,4-Dimethylpenta-2,4-diene; NSC 123451
CAS number1000-86-8molecular formulaC7H12
molecular weight96.1702Exact mass-
PSA-logp-

numbering system

CAS1000-86-8
UNII6CJ16Y4NXU
WikidataQ72471154
NSC NumberNSC Number: NSC123451
PubChem CID66080
Nikkaji NumberJ102.043I
DSSTox Substance IDDTXSID60142854
European Community (EC) Number213-677-4
PubChem Reference Collection SID500725960

physicochemical properties

XLogP3XLogP3-AA: 3.3
Complexity92.6
Exact Mass96.093900383
Formal Charge0
Heavy Atom Count7
Molecular Weight96.17
Monoisotopic Mass96.093900383
Isotope Atom Count0
Rotatable Bond Count1
Kovats Retention IndexSemi-standard non-polar: 688
Hydrogen Bond Donor Count0
Covalently-Bonded Unit Count1
Hydrogen Bond Acceptor Count0
Topological Polar Surface Area0 Ų
Defined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Atom Stereocenter Count0
Undefined Bond Stereocenter Count0

Safety information

Hazard Classes and Categories：
STOT SE 3 (100%)

Production methods and uses

No production method and use information yet

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upstream information

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downstream information

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MSDS

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