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Substance Name: Nerolidol
RN: 7212-44-4
UNII: QR6IP857S6
InChIKey: FQTLCLSUCSAZDY-SDNWHVSQSA-N

Note

  • Sesquiterpene.

Molecular Formula

  • C15-H26-O

Molecular Weight

  • 222.3694
 
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Names and Synonyms

Name of Substance

  • Nerolidol

Synonyms

  • 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-
  • 3,7,11-Trimethyldodeca-1,6,10-trien-3-ol
  • 3-01-00-02042 (Beilstein Handbook Reference)
  • AI3-10519
  • BRN 1724135
  • CCRIS 7678
  • EC 230-597-5
  • EINECS 230-597-5
  • EPA Pesticide Chemical Code 128910
  • FCI 119b
  • FEMA No. 2772
  • Methylvinylhomogeranyl carbinol
  • Nerolidol
  • Nerolidol (natural)
  • Stirrup
  • UNII-QR6IP857S6

Systematic Names

  • 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-
  • 3,7,11-Trimethyldodeca-1,6,10-trien-3-ol,mixed isomers

Superlist Name

  • Nerolidol

Registry Numbers

CAS Registry Number

  • 7212-44-4

FDA UNII

  • QR6IP857S6

Other Registry Number

  • 35944-21-9

System Generated Number

  • 0007212444

Structure Descriptors

InChI

InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+

InChIKey

FQTLCLSUCSAZDY-SDNWHVSQSA-N

Smiles

CC(=CCC\C(=C\CCC(C)(O)C=C)\C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 15gm/kg (15000mg/kg)   Toksikologicheskii Vestnik. Vol. (3), Pg. 31, 1993.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 887, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #5116602,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 5.680 (none)   EST
Atmospheric OH Rate Constant 2.09E-10 cm3/molecule-sec 25 EST

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