Benzene, (1-butyloctyl)

Benzene, (1-butyloctyl)
Compound Structure:
Synonyms: 5-Phenyldodecane;Benzene, (1-butyloctyl)-;2719-63-3;dodecan-5-ylbenzene;Dodecane, 5-phenyl-;(Dodecan-5-yl)benzene;(1-BUTYLOCTYL)BENZENE;EINECS 220-326-9;alpha-butyloctylbenzene;(1-Butyloctyl)benzene #;CHEBI:77515;DTXSID30875107
Compound ID: NMPC-622
PubChem ID:

17630
Molecular Formula: C18H30
Canonical SMILES: CCCCCCCC(CCCC)C1=CC=CC=C1
InChIKey: NPAWGLOPXKCTCV-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

• H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

246.4 g/mol

XLogP3-AA

7.9

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

10

Exact Mass

246.234750957 g/mol

Monoisotopic Mass

246.234750957 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

18

Formal Charge

0

Complexity

167

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Vapor Pressure

0.000584 [mmHg]

Source: PubChem
Source Species: Spondias mombin
Hippocratea indica
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