Diisobutyl adipate

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Names

[ CAS No. ]:
141-04-8

[ Name ]:
Diisobutyl adipate

[Synonym ]:
Diisobutyl adipate
Hexanedioic acid, bis(2-methylpropyl) ester
Hexanedioic acid 1,6-bis(2-methylpropyl) ester
EINECS 205-450-3
bis(2-methylpropyl) hexanedioate
Adipic Acid Diisobutyl Ester
MFCD00053722

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
281.1±8.0 °C at 760 mmHg

[ Melting Point ]:
-17°C

[ Molecular Formula ]:
C14H26O4

[ Molecular Weight ]:
258.354

[ Flash Point ]:
122.6±16.9 °C

[ Exact Mass ]:
258.183105

[ PSA ]:
52.60000

[ LogP ]:
3.85

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

[ Index of Refraction ]:
1.439

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AV1480000
CHEMICAL NAME :
Adipic acid, diisobutyl ester
CAS REGISTRY NUMBER :
141-04-8
BEILSTEIN REFERENCE NO. :
1791084
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C14-H26-O4
MOLECULAR WEIGHT :
258.40

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5950 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,1596,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
12300 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GWXXBX German Offenlegungsschrift Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2703360 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
1190 mg/kg
SEX/DURATION :
female 5-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,1596,1973
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
595 mg/kg
SEX/DURATION :
female 5-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,1596,1973

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
AV1480000

[ HS Code ]:
2917120090

Synthetic Route

Precursor & DownStream

Precursor

  • isobutanol
  • Adipoyl chloride

DownStream

  • Isobutane Residual Solvent Standard
  • Isobutylene

Customs

[ HS Code ]: 2917120090

[ Summary ]:
2917120090. adipic acid and its salts. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%


Related Compounds

  • diisobutyl-(2,6-di-tert-butylphenoxy) aluminium
  • Diisobutyl-methyl-[2-(4-oxo-4H-quinazolin-3-yl)-ethyl]-ammonium; iodide
  • diisobutyl (chloro(diisopropylamino)methylene)phosphoramidate
  • diisobutyl methylphosphonate
  • diisobutyl(piperidin-1-yl)aluminum
  • Diisobutyl 2,3-dihydroxybutanedioate (R-(R*,R*))-