CAS 503-74-2 MFCD00002726-3-Methylbutanoic acid 异戊酸 TAO{mole}

3-Methylbutanoic acid 异戊酸

CAS 503-74-2 MFCD00002726

化学结构图

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

化学属性

Mol. Formula	(CH3)2CHCH2CO2H
Mol. Weight	102
Density	0.925
Autoignition Point	824 °F
Refractive index	1.4010 to 1.4060
Boiling Point	175-177
Vapor Pressure	0.38 mmHg ( 20 °C)
Melting Point	-29
Flash Point	79°C(lit.)
TSCA	Yes
Solubility	25 G/L (20 ºC)

别名和识别编码

Chemical Name	3-Methylbutanoic acid
Synonym	Methylethylessigsäure Isovalerianic acid β-Methylbuttersäure Isopentansäure Isopentanoic acid Isovaleriansäure Butyric acid, 3-methyl- beta-Methylbutyric acid Acetic acid, isopropyl- 3-Methylbutanoic acid Isovaleric acid 3-Methyl-butanoic acid 3-甲基丁酸 Delphinic acid 3-甲基丁酸异丙基乙酸 3-methylbutanoic acid Isopropylacetic acid 3-Methylbutyric acid 3-methyl butanoic acid
MDL Number	MFCD00002726
CAS Number	503-74-2
EC Number	207-975-3
Beilstein Registry Number	1098522
PubChem Substance ID	10430
Merck Number	5231
Chemical Name Translation	异戊酸
Reaxys-RN	1098522
Wiswesser Line Notation	QV1Y1&1
LabNetwork Molecule ID	LN00193168
InChI	InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)

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产品应用

化妆品用香料、食品香料、有机合成。

安全信息

Signal word

GHS Symbol

WGK Germany1

Safety Statements

Risk Statements

R34 Causes burns 会导致灼伤
R24 Toxic in contact with skin 与皮肤接触有毒
R22 Harmful if swallowed 吞咽有害

Precautionary statements

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。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P501 Dispose of contents/container to..… 处理内容物/容器.....
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
P370+P378
P304+P340
P303+P361+P353
P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。

Hazard statements

H227 Combustible liquid 可燃液体
H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤

Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

RTECSNY1400000

Packing GroupII

UN Number UN3265 2922

Hazard Codes C

Storage condition 密封保存

Hazard Class8/6.1

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/year: 1/31/1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1120 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   APTOA6 Acta Pharmacologica et Toxicologica.  (Copenhagen, Denmark)  V.1-59,
   1945-86.  For publisher information, see PHTOEH  Volume(issue)/page/year:
   18,141,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 310 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/year: 1/31/1972

其他信息

具有难闻的气味(腐败干酪气味)。溶于24份水，溶于乙醇；乙醚和氯仿。