Diethyl isophthalate

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Names

[ CAS No. ]:
636-53-3

[ Name ]:
Diethyl isophthalate

[Synonym ]:
Diethyl isophthalate
diethyl benzene-1,3-dicarboxylate
1,3-Benzenedicarboxylic acid, diethyl ester

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
302.0±10.0 °C at 760 mmHg

[ Melting Point ]:
11.5ºC

[ Molecular Formula ]:
C12H14O4

[ Molecular Weight ]:
222.237

[ Flash Point ]:
157.7±8.5 °C

[ Exact Mass ]:
222.089203

[ PSA ]:
52.60000

[ LogP ]:
3.51

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.508

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NT2500000
CHEMICAL NAME :
Isophthalic acid, diethyl ester
CAS REGISTRY NUMBER :
636-53-3
BEILSTEIN REFERENCE NO. :
2052705
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H14-O4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1111 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity)
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 56,1446,1967

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2917399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Diethyl sulfate
  • Isophthalic acid
  • Ethanol
  • m-phthaloyl chloride
  • ethyl cyclohexa-1,3-diene-1-carboxylate
  • Ethyl propiolate

DownStream

  • 3-(ETHOXYCARBONYL)BENZOIC ACID
  • 1,3-diacetylbenzene
  • Isophthalic acid
  • 3-PROPIONYLBENZOIC ACID
  • Diethyl 5-bromoisophthalate
  • Diethyl 5-nitroisophthalate
  • 1,3-Benzenedicarboxamide
  • cis-1,3-cyclohexanedicarboxylic acid
  • 1,3-Benzenedicarboxylic acid, didecyl ester (mixed isomers)

Customs

[ HS Code ]: 2917399090

[ Summary ]:
2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Related Compounds

  • diethyl isophthalate 5-boronic acid
  • diethyl 4-(bromomethyl)isophthalate
  • Diethyl 4-(4-pyridinyl)isophthalate
  • diethyl 5-(5,5-dimethyl-[1,3]dioxan-2-yl)isophthalate
  • diethyl 5-(3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl)isophthalate
  • diethyl-dithiocarbamic acid 3-octyl-prop-1-ene-1,3-diyl ester