1,2-Benzenediol,3-pentadecyl-

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Names

[ CAS No. ]:
492-89-7

[ Name ]:
1,2-Benzenediol,3-pentadecyl-

[Synonym ]:
Pyrocatechol,3-pentadecyl
Hydrourushiol
1,2-dihydroxy-3-pentadecylbenzene
3-Pentadecacatechol
Dihydrorhengol
3-pentadecylbenzene-1,2-diol
3-Pentadecyl-brenzcatechin
3-pentadecyl-pyrocatechol
3-n-Pentadecylpyrocatechol
Hydroureshiol
3-Pentadecylcatechol
Tetrahydrourushiol
3-PDCDihydrorhengol
3-n-Pentadecylcatechol

Chemical & Physical Properties

[ Density]:
0.96g/cm3

[ Boiling Point ]:
445.6ºC at 760mmHg

[ Molecular Formula ]:
C21H36O2

[ Molecular Weight ]:
320.50900

[ Flash Point ]:
191.7ºC

[ Exact Mass ]:
320.27200

[ PSA ]:
40.46000

[ LogP ]:
6.73150

[ Vapour Pressure ]:
1.49E-08mmHg at 25°C

[ Index of Refraction ]:
1.509

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UX2275000
CHEMICAL NAME :
Pyrocatechol, 3-pentadecyl-
CAS REGISTRY NUMBER :
492-89-7
BEILSTEIN REFERENCE NO. :
1885390
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H36-O2
MOLECULAR WEIGHT :
320.57
WISWESSER LINE NOTATION :
QR BQ C15

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-(2,3-dimethoxyphenyl)pentadecane
  • 1-(2,5-dimethoxy-tetrahydro-furan-2-yl)-heptadecan-1-one
  • (+/-)-1-hydroxy-1-(2.3-dimethoxy-phenyl)-pentadecane
  • 2,3-Dimethoxybenzaldehyde
  • 3-Methoxysalicylaldehyde
  • 2-hydroxy-6-pentadecylbenzaldehyde
  • (E)-1-(2,3-dimethoxyphenyl)pentadec-1-ene
  • 1,2-dihydroxy-3-(pentadec-8-enyl)benzene
  • 2-heptadecanoylfuran

DownStream

  • 3-pentadecylcyclohexa-3,5-diene-1,2-dione
  • 1,2-Benzenediol
  • Palmitic acid
  • Oxalic acid
  • 2-methoxy-6-pentadecylphenol
  • 1-(2,3-dimethoxyphenyl)pentadecane

Related Compounds

  • 1,2-Benzenediol,3-pentadecyl-,diacetate
  • 1,2-Benzenediol,3,4-dichloro-6-methoxy-(9CI)
  • 1,2-Benzenediol,3-[2-(diethylamino)ethyl]-(9CI)
  • 1,2-Benzenediol, 3-bicyclo[2.2.1]hepta-2,5-dien-7-yl- (9CI)
  • 1,2-Benzenediol,3-(4,5-dihydro-4-hydroxy-5-methyl-2-oxazolyl)-(9CI)
  • 1,2-Benzenediol, 3-(1-piperidinylmethyl)- (9CI)