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Substance Name: Nerol
RN: 106-25-2
UNII: 38G5P53250
InChIKey: GLZPCOQZEFWAFX-YFHOEESVSA-N

Note

  • Nerol is cis isomer of geraniol; used in perfumery.

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C10-H18-O

Molecular Weight

  • 154.2512
 
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Names and Synonyms

Name of Substance

  • Nerol

Synonyms

  • (Z)-Geraniol
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-
  • 2-cis-3,7-Dimethyl-2,6-octadien-1-ol
  • 3,7-Dimethyl-2,6-octadien-1-ol, (Z)-
  • 3,7-Dimethyl-2,6-octadien-1-ol, cis-
  • AI3-28202
  • cis-Geraniol
  • EC 203-378-7
  • EINECS 203-378-7
  • FEMA No. 2770
  • HSDB 8262
  • Nerol
  • Nerol (natural)
  • Nerol 900
  • Neryl alcohol
  • NSC-46105
  • UNII-38G5P53250

Systematic Names

  • 2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-
  • Nerol

Superlist Names

  • 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-
  • Nerol

Registry Numbers

CAS Registry Number

  • 106-25-2

FDA UNII

  • 38G5P53250

System Generated Number

  • 0000106252

Structure Descriptors

InChI

InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-

InChIKey

GLZPCOQZEFWAFX-YFHOEESVSA-N

Smiles

CC(=CCC\C(=C/CO)\C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 3gm/kg (3000mg/kg)   Journal of Scientific and Industrial Research, Section C: Biological Sciences. Vol. 21, Pg. 342, 1962.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 623, 1976.
rat LD50 oral 4500mg/kg (4500mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 623, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.50E+01 deg C   EXP
Boiling Point 225 deg C   EXP
log P (octanol-water) 3.47 (none)   EXP
Henry's Law Constant 1.15E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.80E-10 cm3/molecule-sec 25 EST

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