Ibufenac
Names
[ CAS No. ]:
1553-60-2
[ Name ]:
Ibufenac
[Synonym ]:
[4-(2-methylpropyl)phenyl]acetic acid
(p-isobutylphenyl)aceticacid
Benzeneacetic acid, 4-(2-methylpropyl)-
ibufenac
2-[4-(2-methylpropyl)phenyl]acetic acid
4-Isobutylphenylacetic acid
(4-Isobutylphenyl)acetic acid
Biological Activity
[Description]:
[Related Catalog]:
[References]
Chemical & Physical Properties
[ Density]:
1.0±0.1 g/cm3
[ Boiling Point ]:
312.2±11.0 °C at 760 mmHg
[ Melting Point ]:
85-87ºC
[ Molecular Formula ]:
C12H16O2
[ Molecular Weight ]:
192.254
[ Flash Point ]:
209.3±14.4 °C
[ Exact Mass ]:
192.115036
[ PSA ]:
37.30000
[ LogP ]:
3.38
[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C
[ Index of Refraction ]:
1.525
[ Storage condition ]:
2-8°C
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AI4200000
- CHEMICAL NAME :
- Acetic acid, (p-isobutylphenyl)-
- CAS REGISTRY NUMBER :
- 1553-60-2
- LAST UPDATED :
- 199801
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C12-H16-O2
- MOLECULAR WEIGHT :
- 192.28
- WISWESSER LINE NOTATION :
- QV1R D1Y1&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3 gm/kg
- TOXIC EFFECTS :
- Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 8,481,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 860 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,22,1968
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 200,271,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 670 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 8,481,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1130 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,22,1968 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 29120 mg/kg/26W-I
- TOXIC EFFECTS :
- Gastrointestinal - other changes
- REFERENCE :
- NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 200,271,1963
Safety Information
[ Hazard Codes ]:
Xi
[ RIDADR ]:
NONH for all modes of transport
[ RTECS ]:
AI4200000
[ HS Code ]:
2916399090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2916399090
[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%