2-hexyldecan-1-ol

2-hexyldecan-1-ol
Compound Structure:
Synonyms: 2-Hexyl-1-decanol;2425-77-6;2-Hexyldecan-1-ol;1-Decanol, 2-hexyl-;2-Hexyldecyl Alcohol;2-Hexyldecanol;Guerbitol 16;Isofol 16; Rilanit G 16
Compound ID: NMPC-247
PubChem ID:

95337
Molecular Formula: C16H34O
Canonical SMILES: CCCCCCCCC(CCCCCC)CO
InChIKey: XULHFMYCBKQGEE-UHFFFAOYSA-N
About the compound:

2-Hexyl-1-decanol is a fatty acid that is found in the essential oils of plants and has been shown to have fungicidal properties. It has also been shown to inhibit the growth of Candida glabrata when used as a cationic surfactant.

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 329 of 331 companies (only ~ 0.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

An eye, nose, and throat irritant; Inhalation may cause dizziness and headache; [Sasol MSDS]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

242.44 g/mol

XLogP3-AA

7

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

13

Exact Mass

242.260965704 g/mol

Monoisotopic Mass

242.260965704 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

17

Formal Charge

0

Complexity

134

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

Liquid

Source: PubChem
Source Species: Vernonia blumeoides
Pentaclethra macrophylla
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