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2-Butyl-1-octanol

2-Butyl-1-octanol structure

2-Butyl-1-octanol 

structure
  • CAS No:

    3913-02-8

  • Formula:

    C12H26O

  • Chemical Name:

    2-Butyl-1-octanol

  • Synonyms:

    1-Octanol,2-butyl-;2-Butyl-1-octanol;2-Butyloctyl alcohol;2-Butyloctanol;5-(Hydroxymethyl)undecane;Isofol 12;Jarcol I 12;NSC 2414;Guerbet C12;Guerbet dodecanol;Butyloctanol;Butyloctyl alcohol;201057-93-4

  • Categories:

    Cosmetic Ingredient  >  Dissolving Agent

Description

liquid


Liquid


2-butyl-1-octanol is a primary alcohol that is 1-octanol substituted by a butyl group at position 2. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is a primary alcohol, a fatty alcohol and an alkyl alcohol. It derives from a hydride of an octane.

2-Butyl-1-octanol Basic Attributes

186.33400

186.33

223-470-0

2414

DTXSID0044818

Characteristics

20.23000

3.75550

Liquid

0.8371 g/cm3 @ Temp: 16.5 °C

< -30ºC

132 °C

110ºC

1.439

16.18 mg/L @ 25 °C (est)

Safety Information

UN 3082 9 / PGIII

2

57-61

RH0885000

N

Stable. Incompatible with strong oxidizing agents. Combustible.

P273

H400-H411

|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 132 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Butyl-1-octanol Use and Manufacturing

Uses

Intermediates


Cleaning and furnishing care products

Production

500,000 - 1,000,000 lb

All other basic organic chemical manufacturing|1-Octanol, 2-butyl-: ACTIVE

Fatty Acyls [FA] -> Fatty alcohols [FA05]|Cosmetics -> Humectant

Computed Properties

Molecular Weight:186.33
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:9
Exact Mass:186.198365449
Monoisotopic Mass:186.198365449
Topological Polar Surface Area:20.2
Heavy Atom Count:13
Complexity:91.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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