18-Hydroxy-all-trans-retinoic acid

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Names

[ CAS No. ]:
63531-93-1

[ Name ]:
18-Hydroxy-all-trans-retinoic acid

[Synonym ]:
(9cis,13cis)-18-Hydroxyretinoic acid

Chemical & Physical Properties

[ Density]:
1.069g/cm3

[ Boiling Point ]:
514.3ºC at 760 mmHg

[ Molecular Formula ]:
C20H28O3

[ Molecular Weight ]:
316.43500

[ Flash Point ]:
278.9ºC

[ Exact Mass ]:
316.20400

[ PSA ]:
57.53000

[ LogP ]:
4.57500

[ Index of Refraction ]:
1.57

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RA8455000
CHEMICAL NAME :
2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(6,6-dimethyl-2-(hydroxymethyl)-1-cycl ohexen-1- yl)-, (E)-
CAS REGISTRY NUMBER :
63531-93-1
LAST UPDATED :
199706
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H28-O3
MOLECULAR WEIGHT :
316.48

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
9800 ug/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 95,122,1988

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (2E,4E,6E,8E)-9-(2-((1-ethoxyethoxy)methyl)-6,6-dimethylcyclohex-1-en-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
  • 2,2-dimethyl-6-(propan-2-yloxymethylidene)cyclohexan-1-one
  • 2-formyl-6,6-dimethylcyclohexanone
  • (E)-1-(2-(hydroxymethyl)-6,6-dimethylcyclohex-1-en-1-yl)-3-methylpenta-1,4-dien-3-ol
  • rac-5-(6,6-dimethyl-2-formyl-1-cyclohexen-1-yl)-3-methyl-3-hydroxy-1-penten-4-yne
  • (E)-(2-(3-hydroxy-3-methylpenta-1,4-dien-1-yl)-3,3-dimethylcyclohex-1-en-1-yl)methyl acetate
  • 2-Formyl-6-methylcyclohexanone sodium salt
  • ((4E)-5-(2-(acetoxymethyl)-6,6-dimethylcyclohex-1-en-1-yl)-3-methylpenta-2,4-dien-1-yl)triphenylphosphonium bromide
  • 2-Methylcyclohexanone
  • ethyl (2E,4Z,6E,8E)-9-(2-(acetoxymethyl)-6,6-dimethylcyclohex-1-en-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate

DownStream

Related Compounds

  • 4-Keto all-trans-Retinoic Acid Methyl Ester
  • Retinoic acid
  • methyl (7E,9E,11E,13E)-9,13-dimethyl-7-(1,1,5-trimethyl-3,5-cyclohexadien-6-yl)-7,9,11,13-nonatetraen-15-oate
  • (2E,4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoic acid
  • all-trans-Retinoic acid sodium salt
  • rac all-trans 3-Hydroxy Retinoic Acid Ethyl Ester
  • 5,12-Bis(4-(tert-butyl)phenoxy)-2,9-dicyclohexylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
  • 4'-(4-Formylphenyl)-2'-methyl-[1,1'-biphenyl]-4-carbaldehyde
  • Benzoic acid, 4-[[6-[(2-methyl-1-oxo-2-propenyl)oxy]hexyl]oxy]-, [1,1'-biphenyl]-4,4'-diyl ester (9CI)
  • (2,3-Difluoro-4-iodophenyl)boronic acid
  • 3-Chloro-2-iodophenylboronic acid
  • 4-Fluoro-3,5-diiodophenylboronic acid
  • N,4-Difluoro-N-((4-fluorophenyl)sulfonyl)benzenesulfonamide
  • 2-Fluoro-6-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
  • 1,3,3-Tris(1-methylethoxy)-1,3-bis(2-(perfluorohexyl)ethyl)-1-disiloxanol
  • (4R,5R)-2-(Dimethylphenylsilyl)-4,5-dimethyl-1,3,2-dioxaborolane
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