Benzene, (1-pentylheptyl)

Benzene, (1-pentylheptyl)
Compound Structure:
Synonyms: 6-PHENYLDODECANE;2719-62-2;Benzene, (1-pentylheptyl)-;dodecan-6-ylbenzene;Dodecane, 6-phenyl-;(dodecan-6-yl)benzene;(1-Pentylheptyl)benzene;EINECS 220-325-3;alpha-pentylheptylbenzene;1-(dodecan-6-yl)benzene;(1-Pentylheptyl)benzene
Compound ID: NMPC-629
PubChem ID:

17629
Molecular Formula: C18H30
Canonical SMILES: CCCCCCC(CCCCC)C1=CC=CC=C1
InChIKey: ZYHJQFMTTFCBKH-UHFFFAOYSA-N
About the compound:

6-phenyldodecane is an alkylbenzene comprising dodecane substituted at position 6 by a phenyl group.

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

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
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