Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Methyl abietate
RN: 127-25-3
UNII: BY54I7IT3L
InChIKey: OVXRPXGVKBHGQO-UYWIDEMCSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C21-H32-O2

Molecular Weight

  • 316.4818
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Methyl abietate

Synonyms

  • 4-09-00-02176 (Beilstein Handbook Reference)
  • Abietic acid, methyl ester
  • AI3-01745
  • BRN 2702228
  • EINECS 204-832-7
  • Methyl 7,13-abietadien-18-oate
  • Methyl abietate
  • NSC 2141
  • UNII-BY54I7IT3L

Systematic Names

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aR,4bR,10aR)-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-
  • Methyl abietate, technical
  • Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester

Superlist Name

  • Methyl abietate

Registry Numbers

CAS Registry Number

  • 127-25-3

FDA UNII

  • BY54I7IT3L

System Generated Number

  • 0000127253

Structure Descriptors

InChI

1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1

InChIKey

OVXRPXGVKBHGQO-UYWIDEMCSA-N

Smiles

COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 931, 1974.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 931, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 362.5 deg C   EXP
log P (octanol-water) 6.750 (none)   EST
Atmospheric OH Rate Constant 2.77E-10 cm3/molecule-sec 25 EST

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