CAS 15687-27-1 MFCD00010393-2-(4-Isobutylphenyl)propanoic acid 2-(-4-异丁基苯基)丙酸 TAO{mole}

2-(4-Isobutylphenyl)propanoic acid 2-(-4-异丁基苯基)丙酸

CAS 15687-27-1 MFCD00010393

化学结构图

SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

化学属性

Mol. Formula	C13H18O2
Mol. Weight	206
Melting Point	75-78
TSCA	Yes
Boiling Point	157
Solubility	不溶
Density	1.422

别名和识别编码

Chemical Name	2-(4-Isobutylphenyl)propanoic acid
CAS Number	15687-27-1
Alfabeta Name	ISOBUTYLPHENYLPROPANOICACID 24()--
MDL Number	MFCD00010393
Synonym	2-(4-Isobutylphenyl)-propionic acid 2-(4-Isobutylphenyl)propanoic acid 2-(p-Isobutylphenyl)propionic acid 4-Isobutylhydratropic acid Acide (isobutyl-4 phenyl)-2 propionique Artril 300 Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)- Brufanic Butylenin Dolgin Epobron IP-82 Ibufen Ibuprocin Lamidon Liptan Mynosedin Napacetin Nobfelon Nobfen Nuprin Proflex Rebugen Roidenin Rufin Unipron alpha-(4-Isobutylphenyl)propionic acid p-Isobutylhydratropic acid α-甲基-4-(异丁基)苯乙酸 (±)-2-(4-异丁基苯基)丙酸布洛芬
EC Number	239-784-6
Reaxys-RN	2049713
PubChem Substance ID	24896130
Merck Number	4881
Beilstein Registry Number	2049713
Chemical Name Translation	2-(-4-异丁基苯基)丙酸
Wiswesser Line Notation	QVY&R DIY
LabNetwork Molecule ID	LN00158127

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产品应用

A selective cyclooxygenase inhibitor (IC50=14.9uM). Inhibits PGH synthase-1 and PGH synthase-2 with comparable potency.

安全信息

Warnings IRRITANT

RTECSMU6640000

GHS Symbol

Signal word Warning

Hazard statements

H302 Harmful if swallowed 吞食有害

WGK Germany3

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P273 Avoid release to the environment. 避免释放到环境中。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P281 Use personal protective equipment as required. 使用所需的个人防护装备。
P301+P312
P301+P312+P330
P302+P350
P305+P351+P338
P305+P351+P338+P337+P313
P332+P313
P337+P313
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P501 Dispose of contents/container to..… 处理内容物/容器.....

Safety Statements

S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36 Wear suitable protective clothing 穿戴适当的防护服；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；

UN Number 3077 UN3077

Risk Statements

R22 Harmful if swallowed 吞咽有害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R51/53
R63 Possible risk of harm to the unborn child 可能危害未出生婴儿

Hazard Codes 9

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

Packing GroupIII

TYPE OF TEST            : TDLo - Low

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 132 mg/kg/6D-I
TOXIC EFFECTS :
   Blood - thrombocytopenia
REFERENCE :
   BJCPAT British Journal of Clinical Practice.  (Medical News Group, 1 Bedford
   St., London WC2E 9HD, UK)  V.10(10)-    1956- Volume(issue)/page/year:
   48,51,1994

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - man
DOSE/DURATION           : 800 mg/kg
TOXIC EFFECTS :
   Behavioral - coma
   Behavioral - somnolence (general depressed activity)
   Nutritional and Gross Metabolic - metabolic acidosis
REFERENCE :
   PGMJAO Postgraduate Medical Journal.  (Blackwell Scientific Pub. Ltd., POB
   88, Oxford, UK) V.1-    1925-  Volume(issue)/page/year: 69,575,1993

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 395 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: 24,415,1982

TYPE OF TEST

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 320 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Gastrointestinal - ulceration or bleeding from stomach
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   15,310,1969

TYPE OF TE

TYPE OF TEST            : Sister chromatid exchange
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 270 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 393,123,1997

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 1470 mg/kg/7D
REFERENCE :
   CUSCAM Current Science.  (Current Science Assoc., Sadashivanagar P.O.,
   Bangalore 560 080, India) V.1-    1932-  Volume(issue)/page/year:
   55,722,1986

TYPE OF TEST            : Sister chromatid exchange
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 50 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 393,123,1997

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 420 mg/kg
SEX/DURATION            : female 7-13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
   Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
   before birth)
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 4,1115,1970

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 10 mg/kg
SEX/DURATION            : female 21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - other effects to embryo
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 18,528,1984

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE                    : 8 mg/kg
SEX/DURATION            : female 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - menstrual cycle changes or disorders
REFERENCE :
   JRPMAP Journal of Reproductive Medicine.  (2 Jacklynn Ct., St. Louis, MO
   63132)  V.3-    1969-  Volume(issue)/page/year: 28,592,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 1260 mg/kg
SEX/DURATION            : female 7-13 day(s) after conception
TOXIC EFFECT