1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-,methyl ester, (1R,4aR,4bR,10aR)-

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Names

[ CAS No. ]:
127-25-3

[ Name ]:
1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-,methyl ester, (1R,4aR,4bR,10aR)-

[Synonym ]:
abieticacid,methylester
Methyl rosinate
methyl (-)-abietate
methyl abietadien-19-oate
Abietic acid methyl
ABALYN
woodrosin,methylester
methylesterofwoodrosin
methyl abieta-7,13-dien-18-oate
Methyl resinate
METHYL ESTER OF ROSIN
EINECS 204-832-7
methyl abietadien-18-oate

Chemical & Physical Properties

[ Density]:
1.02g/cm3

[ Boiling Point ]:
403.8ºC at 760mmHg

[ Molecular Formula ]:
C21H32O2

[ Molecular Weight ]:
316.47800

[ Flash Point ]:
192.8ºC

[ Exact Mass ]:
316.24000

[ PSA ]:
26.30000

[ LogP ]:
5.29460

[ Vapour Pressure ]:
9.9E-07mmHg at 25°C

[ Index of Refraction ]:
1.521

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TP8590000
CHEMICAL NAME :
Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, methyl ester
CAS REGISTRY NUMBER :
127-25-3
BEILSTEIN REFERENCE NO. :
2702228
LAST UPDATED :
199701
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C21-H32-O2
MOLECULAR WEIGHT :
316.53
WISWESSER LINE NOTATION :
L B666 EU GUTJ A1 EY1&1 KVO1 K1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,931,1974 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,931,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,931,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83115 No. of Facilities: 2499 (estimated) No. of Industries: 25 No. of Occupations: 26 No. of Employees: 23335 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83115 No. of Facilities: 468 (estimated) No. of Industries: 5 No. of Occupations: 15 No. of Employees: 5251 (estimated) No. of Female Employees: 1791 (estimated)

Synthetic Route

Precursor & DownStream

Precursor

  • abietic acid
  • Dimethyl sulfate
  • diazomethane
  • Methanol
  • Dimethyl sulfone
  • methyl iodide
  • (Trimethylsilyl)diazomethane
  • abietic acid sodium salt

DownStream

  • Retene
  • abietic acid
  • Methyl dehydroabietate
  • methyl 13,14-epoxyabietate
  • methyl 7α,13β-dihydroxyabiet-8(14)-en-18-oate
  • methyl (1R,4aS,9R,10aR)-9-acetoxy-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)phenanthrene-1-carboxylate
  • 9-hydroxy-13-isopropyl-podocarpadien-(7.13)-oic acid-(15)-methyl ester

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • benzyl N-(4-chlorophenyl)-N-(1-cyanocyclobutyl)carbamate