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Substance Name: alpha-Phellandrene
RN: 99-83-2
UNII: 49JV13XE39
InChIKey: OGLDWXZKYODSOB-UHFFFAOYSA-N

Note

  • Can be irritating to, & absorbed by the skin; ingestion can cause vomiting, diarrhea.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H16

Molecular Weight

  • 136.236
 
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Names and Synonyms

Name of Substance

  • alpha Phellandrene
  • alpha-Phellandrene

Synonyms

  • (-)-2-Methyl-5-(1-methylethyl)-1,3-cyclohexadiene
  • 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-
  • 1-Isopropyl-4-methyl-2,4-cyclohexadiene
  • 1-Methyl-4-isopropyl-1,5-cyclohexadiene
  • 2-Methyl-5-isopropyl-1,3-cyclohexadiene
  • 3-05-00-00342 (Beilstein Handbook Reference)
  • 4-Isopropyl-1-methyl-1,5-cyclohexadiene
  • 5-Isopropyl-2-methyl-1,3-cyclohexadiene
  • alpha-Fellandrene
  • alpha-Phellandrene
  • alpha-Phellandrene (natural)
  • BRN 1280394
  • Dihydro-p-cymene
  • EINECS 202-792-5
  • FEMA No. 2856
  • HSDB 1130
  • Menthadiene
  • p-Mentha-1,5-diene
  • UNII-49JV13XE39

Systematic Names

  • 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-
  • p-Mentha-1,5-diene

Superlist Name

  • Phellandrene, alpha-

Registry Numbers

CAS Registry Number

  • 99-83-2

FDA UNII

  • 49JV13XE39

Other Registry Numbers

  • 1330-17-2
  • 13811-01-3

System Generated Number

  • 0000099832

Structure Descriptors

InChI

1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3

InChIKey

OGLDWXZKYODSOB-UHFFFAOYSA-N

Smiles

C([C@@H]1CC=C(C)C=C1)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 5700mg/kg (5700mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 843, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 172 deg C   EXP
log P (octanol-water) 4.620 (none)   EST
Water Solubility 2.860 mg/L 25 EST
Vapor Pressure 1.4 mm Hg 25 EXP
Henry's Law Constant 0.309 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.13E-10 cm3/molecule-sec 25 EXP

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