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Substance Name: Butyloctanol
RN: 3913-02-8
UNII: N442D9VO79
InChIKey: XMVBHZBLHNOQON-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H26-O

Molecular Weight

  • 186.336
 
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Names and Synonyms

Name of Substance

  • 1-Octanol, 2-butyl-
  • 2-Butyl-1-octanol
  • Butyloctanol

Synonyms

  • 2-Butyl-1-octanol
  • 2-Butyloctanol
  • 2-Butyloctyl alcohol
  • 4-01-00-01855 (Beilstein Handbook Reference)
  • 5-(Hydroxymethyl)undecane
  • AI3-19958
  • BRN 1738522
  • EC 223-470-0
  • EINECS 223-470-0
  • NSC 2414
  • UNII-N442D9VO79

Systematic Names

  • 1-Octanol, 2-butyl-
  • 2-Butyloctan-1-ol

Registry Numbers

CAS Registry Number

  • 3913-02-8

FDA UNII

  • N442D9VO79

Other Registry Number

  • 201057-93-4

System Generated Number

  • 0003913028

Structure Descriptors

InChI

1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3

InChIKey

XMVBHZBLHNOQON-UHFFFAOYSA-N

Smiles

C([C@@H](CCCC)CO)CCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 13gm/kg (13000mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.