Ethyl 4-hydroxy-3-methoxybenzoate 香草酸乙酯
CAS 617-05-0 MFCD00017269
化学结构图
SMILES: CCOC(=O)c1ccc(O)c(OC)c1
化学属性
| Mol. Formula | C10H12O4 |
|---|---|
| Mol. Weight | 196 |
| Melting Point | 42.0 to 48.0 deg-C |
| TSCA | Yes |
| Boiling Point | 293°C(lit.) |
| Flash Point | 293°C |
| Appearance | 白色结晶。烤香香气，咖啡气味。 |
| Density | 1.18 |
别名和识别编码
| Chemical Name | Ethyl 4-hydroxy-3-methoxybenzoate |
|---|---|
| MDL Number | MFCD00017269 |
| CAS Number | 617-05-0 |
| Synonym | Benzoicacid,4-hydroxy-3-methoxy-,ethylester 香子兰酸乙酯 m-Anisic acid, 4-hydroxy-, ethyl ester 4-hydroxy-3-methoxy-benzoicaciethylester 乙基- 4-HYDROXY-3-METHOXYBENZOIC ACID ETHYL ESTER 98% ETHYL 3-METHOXY-2-HYDROXYBENZOATE TIMTEC-BB SBB005892 3-METHOXY-4-HYDROXYBENZOIC ACID ETHYL ESTER Ethylvanillate,97% 2-Iodoanilline Ethyl 4-hydroxy-3-methoxybenzoate VANILLIC ACID ETHYL ESTER 97+% ETHYL VANILLATE VANILIC ACID ETHYL ESTER ethylvanillate,4-hydroxy-3-methoxybenzoicacidethylester 4-hydroxy-m-anisicaciethylester 3-Methoxy-4-hydroxybenzoic acid, ethyl ester Vanillic acid, ethyl ester Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester Ethyl vanilate Ethyl vanillate |
| EC Number | 210-503-9 |
| Beilstein Registry Number | 10,397 |
| Reaxys-RN | 2100025 |
| PubChem Substance ID | 87577843 |
| Chemical Name Translation | 香草酸乙酯 |
| Wiswesser Line Notation | 2OVR DQ CO1 |
| LabNetwork Molecule ID | LN00221620 |
| InChI | InChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3 |
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相关文献及参考
- Beilstein:10,397
安全信息
GHS Symbol
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 3 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : HBTXAC "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59 Volume(issue)/page/year: 1,138,1955
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 56 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#06395
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : HBTXAC "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59 Volume(issue)/page/year: 1,138,1955
其他信息
- Alfa Aesar:香草酸乙酯,97% Ethyl vanillate, 97%(617-05-0)
- Sigma Aldrich:617-05-0(sigmaaldrich)
- MOL 文件:617-05-0.mol
- TCI Shanghai:香草酸乙酯 Ethyl Vanillate,>;97.0%(GC)(617-05-0)
- 香草酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 V0051 香草酸乙酯 Ethyl Vanillate 25G 1120元 2014/06/02 V0051 香草酸乙酯 Ethyl Vanillate 250G 6670元 2010/05/25 L05798 香草酸乙酯, 97% Ethyl vanillate, 97% 50g 2128元
- 图谱信息:香草酸乙酯(617-05-0)红外图谱(IR1) 香草酸乙酯(617-05-0)质谱(MS) 香草酸乙酯(617-05-0)核磁图( 1 HNMR) 香草酸乙酯(617-05-0)Raman光谱 香草酸乙酯(617-05-0)核磁图( 13 CNMR) 香草酸乙酯(617-05-0)红外图谱(IR2)
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