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4-ISOBUTYLPHENYLACETIC ACID

Name: 4-ISOBUTYLPHENYLACETIC ACID
Brand: 2A Biotech
SKU: 2A-0140089

CAS Number1553-60-2

Synonyms[4-(2-methylpropyl)phenyl]acetic acid; (p-isobutylphenyl)aceticacid; ibufenac; 2-[4-(2-methylpropyl)phenyl]acetic acid; 4-Isobutylphenylacetic acid; (4-Isobutylphenyl)acetic acid

Molecular FormulaC12H16O2

Molecular Weight192.25

Purity≥95 (HPLC)%

Density1.0±0.1 g/cm3

Boiling Point312.2±11.0 °C at 760 mmHg

Melting Point85-87ºC

Appearancepowder

EINECS216-302-2

MSDSChinese English

Cat. No.: 2A-0140089 Purity: ≥95 (HPLC)%

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Quality Control of [ 1553-60-2 ] Purity: ≥95 (HPLC)% SDS Specification MoL

Chemical & Physical Properties
CAS Number	1553-60-2
Catalog No.	2A-0140089
Chinese Name	异丁芬酸
Synonyms	[4-(2-methylpropyl)phenyl]acetic acid; (p-isobutylphenyl)aceticacid; ibufenac; 2-[4-(2-methylpropyl)phenyl]acetic acid; 4-Isobutylphenylacetic acid; (4-Isobutylphenyl)acetic acid
Molecular Formula	C12H16O2
Molecular Weight	192.25
Purity	≥95 (HPLC)
Density	1.0±0.1 g/cm3
Boiling Point	312.2±11.0 °C at 760 mmHg
Melting Point	85-87ºC
Appearance	powder
Storage Condition	2-8°C
Application	Ibufenac (Dytransin) is a nonsteroidal antirheumatic drug that can be used as an analgesic and anti-inflammatory agent [1].
EINECS	216-302-2
HTC	2916399090
UN(IATA)	0
PubChem ID	329825891
MDL Number	MFCD00864374
SMILES	OC(CC1=CC=C(CC(C)C)C=C1)=O
InChI	1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)
InChI Key	CYWFCPPBTWOZSF-UHFFFAOYSA-N
NACRES Code	NA.77
UNSPSC	12352200
MSDS	msds/140089_1_1553_60_2.pdf
Use of	Ibufenac (Dytransin), a non-steroidal anti-rheumatoid agent, can be used as an analgesic and anti-inflammatory agent[1]. Properties Name ibufenac Synonym More Synonyms Ibufenac Biological Activity 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 >> Others Research 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 Molecular Formula C12H16O2 Exact Mass 192.115036 PSA 37.30000 Index of Refraction 1.525 InChIKey CYWFCPPBTWOZSF-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Acetic acid, (p-isobutylphenyl)- CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C12-H16-O2 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : QV1R D1Y1&1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 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 : 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 : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 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 : 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 : 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 : SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 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 1-(chloromethyl... 60736-79-0 Literature: Rao, B. Nageswara; Adapa, Srinivas R.; Pardhasaradhi, M. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1988 , vol. 27, # 1-12 p. 84 - 85 ethyl 4-isobuty... 15649-02-2 Literature: Tamura, Yasumitsu; Choi, Hong Dae; Shindo, Hirohisa; Ishibashi, Hiroyuki Chemical and Pharmaceutical Bulletin, 1982 , vol. 30, # 3 p. 915 - 921 morpholine 1Y1&1R DV1 38861-78-8 Literature: EP485158 A2, ; Precursor & DownStream Precursor 10 CAS#:60736-79-0 1-(chloromethyl... CAS#:15649-02-2 ethyl 4-isobuty... CAS#:110-91-8 morpholine CAS#:38861-78-8 1Y1&1R DV1 DownStream 4 CAS#:51146-56-6 (S)-(+)-Ibuprofen CAS#:15687-27-1 CAS#:61566-33-4 methyl 2-(4-iso... CAS#:38588-43-1 2-[4-(2-methylp...
Tax Rebate	9.0%
Supervision	None MFN tariff: 6.5% Ordinary tariff: 30.0%
Transport Info	Product name: 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%

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