CAS 1553-60-2|Ibufenac

Introduction：Basic information about CAS 1553-60-2|Ibufenac, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Ibufenac BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	Ibufenac
CAS Number	1553-60-2	Molecular Weight	192.254
Density	1.0±0.1 g/cm3	Boiling Point	312.2±11.0 °C at 760 mmHg
Molecular Formula	C₁₂H₁₆O₂	Melting Point	85-87ºC
MSDS	ChineseUSA	Flash Point	209.3±14.4 °C

Names

Name	ibufenac
Synonym	More Synonyms

Ibufenac BiologicalActivity

Description	Ibufenac (Dytransin), a non-steroidal anti-rheumatoid agent, can be used as an analgesic and anti-inflammatory agent[1].
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology
References	[1]. S S Adams, et al. Some aspects of the pharmacology of ibufenac, a non-steroidal anti-inflammatory agent. J Pharm Pharmacol. 1968 Apr;20(4):305-12.

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
InChIKey	CYWFCPPBTWOZSF-UHFFFAOYSA-N
SMILES	CC(C)Cc1ccc(CC(=O)O)cc1
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

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%

Synonyms

[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

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