3-Dodecanol

3-Dodecanol
Compound Structure:
Synonyms: 3-Dodecanol;dodecan-3-ol;10203-30-2;(R)-dodecan-3-ol;581107-05-3;dodecanol-3;3-hydroxydodecane;NSC158523;SCHEMBL378929
Compound ID: NMPC-348
PubChem ID:

139108
Molecular Formula: C12H26O
Canonical SMILES: CCCCCCCCCC(CC)O
InChIKey: OKDGZLITBCRLLJ-UHFFFAOYSA-N
About the compound:

Dodecan-3-ol is a secondary alcohol characterized by the presence of a hydroxy group at position 3 in dodecane. This compound is classified as a dodecanol and falls into the category of secondary alcohols.

GHS Hazard Statements

• H319 (85.48%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H400 (87.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

• H410 (12.57%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

• H411 (26.46%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

186.33 g/mol

XLogP3

4.9

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

9

Exact Mass

186.198365449 g/mol

Monoisotopic Mass

186.198365449 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

13

Formal Charge

0

Complexity

91.1

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

Physical Description

Melting point = 25 deg C; [ChemIDplus] Melting point = 12 deg C; [ChemSampCo MSDS]

Source: PubChem
Source Species: Momordica angustisepala
Pachira glabra
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