Allylacetic acid 4-烯戊酸
CAS 591-80-0 MFCD00004408
化学结构图
SMILES: C=CCCC(=O)O
化学属性
| Mol. Formula | C5H8O2 |
|---|---|
| Mol. Weight | 100.12 |
| Boiling Point | 188.5°C at 760 mmHg |
| TSCA | T |
| Melting Point | 54-57°C |
| Density | 0.981 |
| Refractive index | 1.4280 to 1.4300 |
| Flash Point | 89°C |
| Solubility | Soluble in alcohol, Slightly soluble in water |
| Vapor Density | >;1 (vs air) |
别名和识别编码
| Chemical Name | Allylacetic acid |
|---|---|
| CAS Number | 591-80-0 |
| Alfabeta Name | PENTENOICACID 4- |
| MDL Number | MFCD00004408 |
| Synonym | 4-Pentenoic acid {LY} 4-Pentenoic acid {} {LY} 4-Pentenoic acid {} {} {LY} 4-Pentenoic acid {} {} {} {LY} 4-Pentenoic acid {} {} {} {} {LY} 4-Pentenoic acid {} {} {} {} {} {LY} 4-Pentenoic acid {} {} {} {} {} {} {LY} 4-Pentenoic acid {} {} {} {} {} {} {} {LY} 4-Pentenoic acid {} {} {} {} {} {} {} {} {LY} 4-Pentenoic acid {} {} {} {} {} {} {} {} {} {LY} 4-Pentenoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Pentenoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Pentenoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Pentenoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Pentenoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Pentenoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Pentenoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Pentenoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} |
| EC Number | 209-732-7 |
| Beilstein Registry Number | 1633696 |
| PubChem Substance ID | 61138 |
| Reaxys-RN | 1633696 |
| Chemical Name Translation | 4-烯戊酸 |
| Wiswesser Line Notation | QV3U1 |
| LabNetwork Molecule ID | LN00007337 |
| InChI | InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7) |
| Canonical SMILES | C=CCCC(O)=O |
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分类
- {SNA} Building Blocks, C1 to C5, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
- {SNA} A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O-P
- {SNA} A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, N-P, O - Z, O-P
- {SNA} A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Ha
相关文献及参考
- Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
- Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
- Short: IV/8I Title: Densities of Phenols, Aldehydes, Ketones, Carboxylic Acids, Amines, Nitriles, and Nitrohydrocarbons Author: Frenkel, M.; Hong, X.; Dong, Q.; Yan, X.; Chirico, R.D. Editor: Frenkel, M.; Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8I Year: 2002 Keyword: Thermodynamics; Thermodynamik ISBN: 978-3-540-42883-1 ISBN: 3-540-42883-6 Internet Resource: DOI:10.1007/b76771 RefComment: XI, 470 p., Hardcover RefComment: Written for Scientists and engineers in the fields of Physics, Chemistry and Physical Chemistry Abstract: Critically evaluated experimental data covering the densities of organic compounds are essential for both scientific and industrial applications. Knowledge of densities is important in many areas, including custody transfer of materials, prod
安全信息
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- 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；
- S36/37/39 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；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
GHS Symbol
- H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
- H302 Harmful if swallowed 吞食有害
- H227 Combustible liquid 可燃液体
- 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。
- P303+P361+P353+P310+P363
- P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
- 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。
- P405 Store locked up. 上锁保管。
- P370+P378
- P234 Keep only in original container. 只保留在原来的容器中。
- 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。
- P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 315 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Endocrine - hypoglycemia REFERENCE : JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 21,85,1969
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 610 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 315 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - somnolence (general depressed activity) Endocrine - hypoglycemia REFERENCE : JPPMAB Journal of Pharmacy and Pharmacology. (Pharmaceutical Soc. of Great Britain, 1 Lambeth High St., London SEI 7JN, UK) V.1- 1949- Volume(issue)/page/year: 21,85,1969
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 470 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publ
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