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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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
GHS Symbol
- 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
- 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。
- 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
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。
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