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2-Methylnonacosane

HCID 182192
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Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
34425-19-9
Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C
InChIKey
NLAGNNORBYGNAV-UHFFFAOYSA-N
Molecular formula
C30H62
Average molar mass
422.8 g/mol
Monoisotopic mass
422.48515198

Overview

isotriacontane has been reported in Cryptotermes brevis, Coptotermes formosanus, and Solanum lycopersicum with data available.

Names & identifiers

Preferred name
2-Methylnonacosane
IUPAC
2-methylnonacosane
English name
isotriacontane
Molecular formula
C30H62
Molecular weight
422.81328

Names & synonyms

2-MethylnonacosaneIsotriacontane34425-19-9Nonacosane, 2-methyl-SCHEMBL598884SCHEMBL5985367DTXSID9075080SCHEMBL21810686SCHEMBL21899376SCHEMBL27160980LMFA11000347

Database identifiers

CAS
34425-19-9
PubChem CID
182192
DTXSID
DTXSID9075080

Properties

Computed structural properties

XLogP
16.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
26
Heavy atoms
30
Formal charge
0
Complexity
280

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]

Physicochemical properties

Melting point
73 · 73-74 °C
Boiling point
222 °C · 222 °C(Press: 0.3 Torr)
Cosmetics Ingredients Functions
SKIN CONDITIONING - EMOLLIENTASTRINGENTANTIOXIDANTSURFACTANT - HYDROTROPESKIN CONDITIONING - HUMECTANTHAIR CONDITIONINGHUMECTANTSKIN PROTECTING
EPA Substance Registry System
Isotriacontane (34425-19-9)

Chemistry & industry

Applications

DescriptionIsotriacontane is a branched hydrocarbon containing 30 carbons.

Related reactions

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Compound notes

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