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Substance Name: Abietic acid
RN: 514-10-3
UNII: V3DHX33184
InChIKey: RSWGJHLUYNHPMX-ONCXSQPRSA-N

Classification Codes

  • Antioxidants
  • Cardiovascular Agents
  • Fibrin Modulating Agents
  • Fibrinolytic Agents
  • Free Radical Scavengers
  • Hematologic Agents

Molecular Formula

  • C20-H30-O2

Molecular Weight

  • 302.455
 
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Names and Synonyms

Name of Substance

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl- )-
  • Abietic acid

Synonyms

  • 13-Isopropylpodocarpa-7,13-dien-15-oic acid
  • 7,13-Abietadien-18-oic acid
  • Abietate
  • Abietic acid
  • AI3-17273
  • CCRIS 3183
  • EINECS 208-178-3
  • Kyselina abietova
  • Kyselina abietova [Czech]
  • l-Abietic acid
  • NSC 25149
  • Sylvic acid
  • UNII-V3DHX33184

Systematic Names

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aR,4bR,10aR)-
  • Abietic acid
  • Abietic acid, technical
  • Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-

Superlist Name

  • Abietic acid

Registry Numbers

CAS Registry Number

  • 514-10-3

FDA UNII

  • V3DHX33184

Other Registry Number

  • 72452-62-1

Related Registry Numbers

  • 10248-55-2 (unspecified copper salt)
  • 13463-98-4 (calcium salt)
  • 14351-66-7 (hydrochloride salt)
  • 23250-44-4 (potassium salt)
  • 66104-40-3 (strontium salt)
  • 66104-41-4 (barium salt)
  • 67816-10-8 (Pd(+2) salt)
  • 6798-76-1 (zinc salt)

System Generated Number

  • 0000514103

Structure Descriptors

InChI

InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1

InChIKey

RSWGJHLUYNHPMX-ONCXSQPRSA-N

Smiles

CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02819,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 173.5 deg C   EXP
log P (octanol-water) 6.460 (none)   EST
Water Solubility 48.4 mg/L 20 EXP
Atmospheric OH Rate Constant 2.78E-10 cm3/molecule-sec 25 EST

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