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Substance Name: Alloocimene, (4E,6E)-
RN: 3016-19-1
UNII: 6TF53L340E
InChIKey: GQVMHMFBVWSSPF-SOYUKNQTSA-N

Molecular Formula

  • C10-H16

Molecular Weight

  • 136.236
 
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Names and Synonyms

Name of Substance

  • Alloocimene, (4E,6E)-

Synonyms

  • (4E,6E)-Allocimene
  • (4E,6E)-Alloocimene
  • (E,E)-2,6-Dimethyl-2,4,6-octatriene
  • EINECS 221-153-1
  • trans,trans-Alloocimene
  • UNII-6TF53L340E

Systematic Names

  • (E,E)-2,6-Dimethylocta-2,4,6-triene
  • 2,4,6-Octatriene, 2,6-dimethyl-, (4E,6E)-
  • 2,4,6-Octatriene, 2,6-dimethyl-, (E,E)-

Registry Numbers

CAS Registry Number

  • 3016-19-1

FDA UNII

  • 6TF53L340E

System Generated Number

  • 0003016191

Structure Descriptors

InChI

1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+

InChIKey

GQVMHMFBVWSSPF-SOYUKNQTSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 2400mg/kg (2400mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 309, 1988.
rat LD50 oral 1900mg/kg (1900mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 309, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.54E+01 deg C   EXP
Boiling Point 188 deg C   EXP
log P (octanol-water) 4.720 (none)   EST
Atmospheric OH Rate Constant 2.36E-10 cm3/molecule-sec 25 EST

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