α-Methylbenzyl alcohol 1-苯基乙醇
CAS 98-85-1 MFCD00004508
化学结构图
SMILES: CC(O)c1ccccc1
化学属性
| Mol. Formula | C8H10O |
|---|---|
| Mol. Weight | 122 |
| Refractive index | n20/D 1.527(lit.) |
| Boiling Point | 203-205 |
| Density | 1.01 |
| Melting Point | 20 |
| TSCA | Yes |
| Vapor Density | 4.21 (vs air) |
| Vapor Pressure | 0.1 mmHg ( 20 °C) |
| Flash Point | 94°C(lit.) |
| Solubility | 29 g/L (20 °C) |
别名和识别编码
| Chemical Name | α-Methylbenzyl alcohol |
|---|---|
| Synonym | (±)-α-甲基苄醇 ( (±)-α-甲基苄醇 (±)-1-苯乙醇 甲基苯基甲醇 苏合 (1-Hydroxyethyl)benzene (R,S)-1-Phenyl-ethanol (RS)-sec-Phenethyl (±)-1-Phenylethanol, (±)-α-Methylbenzyl Alcohol, DL-sec-Phenethyl alcohol (±)-sec-Phenylethanol (±)-α-Methylbenzyl alcohol (±)-α-Methylbenzylalkohol 1-Phenylethan-1-ol 1-phenyl-1-ethanol Benzyl alcohol, α-methyl- DL-1-PHENYLETHANOL DL-2-METHYL PHENYL METHANOL DL-ALPHA-METHYLBE MBA Methyl-phenyl-carbino Styralyl alcohol a-Methylbenzenemethanol {} {} {} {hazard_com} alpha-Phenethyl alcohol {} {} {} {} {ALF} alpha-Methylbenzyl alcoholMethyl phenyl carbinol {} {} {} {} {} {} {} {} {} {} {Chemicalb {} {} {} {} {} {} {SNA} α-甲基苄醇 {} {} {} {} {} {} |
| CAS Number | 98-85-1 |
| PubChem Substance ID | 7409 |
| EC Number | 202-707-1 |
| Beilstein Registry Number | 87572261 |
| MDL Number | MFCD00004508 |
| Chemical Name Translation | 1-苯基乙醇 |
| Reaxys-RN | 1905149 |
| Wiswesser Line Notation | QY1&R |
| LabNetwork Molecule ID | LN00224208 |
| InChI | InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3 |
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分类
- {SNA} A-D, Alphabetical Listings, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, M-N
- {SNA} A-D, Alphabetical Listings,
- {SNA} A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I
产品应用
- 有机合成。用于日化和食用香精，也可制成乙酸酯、丙酸酯等酯类香料。
相关文献及参考
- Short: III/35D2
- Beilstein: 6,II,444
- Short: III/35C1
安全信息
GHS Symbol
- H302 Harmful if swallowed 吞食有害
- H319 Causes serious eye irritation 严重刺激眼睛
- H315 Causes skin irritation 会刺激皮肤
- H318 Causes serious eye damage 严重伤害眼睛
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- 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。
- P301+P312
- P301+P312+P330
- P302+P350
- P302+P352
- P302+P352+P332+P313+P362+P364
- P305+P351+P338
- P305+P351+P338+P310
- P332+P313
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
- 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；
- S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
- S39 Wear eye/face protection 戴眼睛/面孔保护装置；
- S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
- R22 Harmful if swallowed 吞咽有害
- R36 Irritating to eyes 刺激眼睛
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
- R38 Irritating to skin 刺激皮肤
- R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 386 gm/kg/2Y-C TOXIC EFFECTS : Tumorigenic - neoplastic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors REFERENCE : NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-369,1990
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 26,269,1944
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 250 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4-
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 15,129,1920
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : >15 mL/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,695,1969
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED :
TYPE OF TEST : Mutation in mammalian somatic cells TEST SYSTEM : Rodent - mouse Lymphocyte DOSE/DURATION : 250 mg/kg REFERENCE : NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-369,1990
TYPE OF TEST : Cytogenetic analysis TEST SYSTEM : Rodent - hamster Ovary DOSE/DURATION : 1 gm/L REFERENCE : NTPTR* National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No.206- Volume(issue)/page/year: NTP-TR-369,1990
其他信息
- 急性毒性:口服- 大鼠 LD50: 400 毫克/ 公斤
- 海关编码:29400090
- 蒸气密度:4.21 (vs air)
- Sigma Aldrich:98-85-1(sigmaaldrich)
- 用途三:有机合成。用于日化和食用香精，也可制成乙酸酯、丙酸酯等酯类香料。
- 外观性质:无色液体，有花香味。
- 下游产品:乙醇钠
- 方法二:将12g干燥的苯乙酮溶于30ml干燥的异丙醇，在搅拌下加入22g异丙醇铝，反应2h后冰析出粗品，经水洗、干燥、减压蒸馏，得9g1-苯乙醇。
- 有花香。易溶于乙醇和乙醚，不溶于水。低毒，半数致死量(大鼠，经口)1790mg/kg。有刺激性。有一对对映体。氧化生成苯乙酮，与盐酸作用生成苯乙烯和醚。
- 类别:有毒物品
- 用途二:有机合成中间体。
- Acros Organics:DL-sec-Phenethyl alcohol, 99+%(98-85-1)
- 蒸气压:0.1 mm Hg ( 20 °C)
- 甲基苯甲醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0163 (+/-)-1-苯乙醇 (+/-)-1-Phenylethyl Alcohol 500ML 714元 2014/06/02 M0163 (+/-)-1-苯乙醇 (+/-)-1-Phenylethyl Alcohol 25ML 213元 2010/06/21 351885000 甲基苯甲醇 DL-sec-Phenethyl alcohol 97% 500 GR 693元
- 储运特性:库房通风低温干燥; 与食品、氧化剂分开储运
- 图谱信息:甲基苯甲醇(98-85-1)质谱(MS) 甲基苯甲醇(98-85-1)红外图谱(IR1)
- 可燃性危险特性:明火可燃； 火场放出辛辣刺激烟雾
- MOL 文件:98-85-1.mol
- 刺激数据:皮肤- 兔子 500 毫克/24小时 中度; 眼睛- 兔子 2 毫克 重度
- 方法一:由乙基苯氧化而成。 由乙酰苯还原而得。
- MSDS 信息:α-甲基苯基甲醇(98-85-1).msds
- 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量（g/kg） 苏合香醇 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
- TCI Shanghai:DL-1-苯乙醇 DL-1-Phenylethyl Alcohol,>;98.0%(GC)(98-85-1)
- 上游原料:乙酰苯 --> 乙基苯 --> 异丙醇铝
- 毒性分级:高毒
- FEMA:2685
- 用途一:GB 2760—1996规定为暂时允许使用的食用香料。主要用以配制草莓和热带水果型香精。
- 灭火剂:泡沫、干粉、砂土、1211灭火剂
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