Diffractaic acid

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Names

[ CAS No. ]:
436-32-8

[ Name ]:
Diffractaic acid

[Synonym ]:
2,4-dimethoxy-3,6-dimethylbenzoic acid 4'-carboxy-3'-hydroxy-2',5'-dimethylphenyl ester
diffractic acid
diffractaic acid
Diffractasaeure
Dirbizomic acid
DIFFRACTOIC ACID
Dirhizomic acid
DIFFRACTANIC ACID
diffratic acid

Chemical & Physical Properties

[ Density]:
1.26g/cm3

[ Boiling Point ]:
604.9ºC at 760mmHg

[ Molecular Formula ]:
C20H22O7

[ Molecular Weight ]:
374.38400

[ Flash Point ]:
214.2ºC

[ Exact Mass ]:
374.13700

[ PSA ]:
102.29000

[ LogP ]:
3.56040

[ Vapour Pressure ]:
1.74E-15mmHg at 25°C

[ Index of Refraction ]:
1.583

[ Storage condition ]:
2-8℃

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VH3708850
CHEMICAL NAME :
beta-Resorcylic acid, 3,6-dimethyl-, 4-(2,4-dimethoxy-3,6-dimethylbenzoate)
CAS REGISTRY NUMBER :
436-32-8
BEILSTEIN REFERENCE NO. :
2915070
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H22-O7
MOLECULAR WEIGHT :
374.42

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
962 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980- Volume(issue)/page/year: 5,335,1981

Safety Information

[ HS Code ]:
2918990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • ethyl 2,4-dihydroxy-3,6-dimethylbenzoate
  • benzyl 2,4-dihydroxy-3,6-dimethylbenzoate

DownStream

  • 2,5-DIMETHYLRESORCINOL
  • (3-hydroxy-4-methoxycarbonyl-2,5-dimethyl-phenyl) 2,4-dimethoxy-3,6-dimethyl-benzoate

Customs

[ HS Code ]: 2918990090

[ Summary ]:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • Thiovaleric acid S-sec-butyl ester
  • Octanethioic acid S-propyl ester
  • Hexanethioic acid S-decyl ester
  • Thiopropionic acid S-undecyl ester
  • trisporic acid
  • Benzoic acid, 3,4-dihydroxy-, 2-Methylpropyl ester
  • 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
  • 2-(1-Ethoxyethenyl)-4-fluorobenzoic acid
  • 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