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Substance Name: Prenol
RN: 556-82-1
UNII: 55MY0HM445
InChIKey: ASUAYTHWZCLXAN-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C5-H10-O

Molecular Weight

  • 86.133
 
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Names and Synonyms

Name of Substance

  • Prenol

Synonyms

  • 2-Buten-1-ol, 3-methyl-
  • 3,3-Dimethylallyl alcohol
  • 3-Methyl-2-buten-1-ol
  • 3-Methyl-2-butenol
  • 3-Methyl-2-butenyl alcohol
  • 3-Methylcrotyl alcohol
  • 4-01-00-02129 (Beilstein Handbook Reference)
  • BRN 1633479
  • Dimethylallyl alcohol
  • EC 209-141-4
  • EINECS 209-141-4
  • FEMA No. 3647
  • NSC 158709
  • Prenol
  • Prenyl alcohol
  • UNII-55MY0HM445

Systematic Names

  • 2-Buten-1-ol, 3-methyl-
  • 3-Methylbut-2-en-1-ol

Superlist Names

  • 2-Buten-1-ol, 3-methyl-
  • 3-Methyl-2-buten-1-ol

Registry Numbers

CAS Registry Number

  • 556-82-1

FDA UNII

  • 55MY0HM445

Other Registry Number

  • 135146-66-6

System Generated Number

  • 0000556821

Structure Descriptors

InChI

1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3

InChIKey

ASUAYTHWZCLXAN-UHFFFAOYSA-N

Smiles

C(=C(\C)C)\CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3900mg/kg (3900mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 895, 1979.
rat LD50 oral 810mg/kg (810mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 895, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 140 deg C   EXP
log P (octanol-water) 1.170 (none)   EST
Atmospheric OH Rate Constant 9.06E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.