3-Methylbutanoic acid 异戊酸

CAS 503-74-2 MFCD00002726

化学结构图

503-74-2
SMILES: CC(C)CC(=O)O

化学属性

Mol. Formula(CH3)2CHCH2CO2H
Mol. Weight102
Density0.925
Autoignition Point824 °F
Refractive index1.4010 to 1.4060
Boiling Point175-177
Vapor Pressure0.38 mmHg ( 20 °C)
Melting Point-29
Flash Point79°C(lit.)
TSCAYes
Solubility25 G/L (20 ºC)

别名和识别编码

Chemical Name3-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 NumberMFCD00002726
CAS Number503-74-2
EC Number207-975-3
Beilstein Registry Number1098522
PubChem Substance ID10430
Merck Number5231
Chemical Name Translation异戊酸
Reaxys-RN1098522
Wiswesser Line NotationQV1Y1&1
LabNetwork Molecule IDLN00193168
InChIInChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
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分类

  • {SNA} Acid, Alcoholic & Nonalcoholic Beverages, All Alphabetically Sorted, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Animal Products, Apple, Banana, Barley,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, F&F Ingredients in Drum Quantities (25-200 kg), Flavors and Fragrances, H-J, Halal Certified Products, I - N, I-L, I-N, Kosher Certified Products
  • {SNA} Artemisia vulgaris,
  • {SNA} Artemisia vulgaris, Building Blocks, C1 to C5, Carbonyl Compounds, Carbox

产品应用

  • 化妆品用香料、食品香料、有机合成。

相关文献及参考

  • Merck: 14,5231
  • Merck: 14,5231 Beilstein:2,309
  • Short: II/27B
  • Short: II/5
  • Short: III/35E
  • [1]. Ackman RG, et al. Birthweights in the Faroe Islands: possible role of isovaleric acid. J Intern Med. 1989 Feb;225(2):73-5.

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。

系列性分类