苯乙醇_MSDS_用途_密度_苯乙醇CAS号【60-12-8】

2-Phenylethanol (Phenethyl alcohol) 可从玫瑰、风笛、阿勒颇松、桔子花等多种物种中提取得到的一种无色液体,微溶于水。它有一种令人愉悦的气味,也是真菌 Candida albicans 产生的一种自体抗生素[1]。它常被用作香烟添加剂,也可用作香皂中的防腐剂,因为它比较稳定。

[ 描述 ]:

2-Phenylethanol (Phenethyl alcohol) 可从玫瑰、风笛、阿勒颇松、桔子花等多种物种中提取得到的一种无色液体,微溶于水。它有一种令人愉悦的气味,也是真菌 Candida albicans 产生的一种自体抗生素[1]。它常被用作香烟添加剂,也可用作香皂中的防腐剂,因为它比较稳定。

[ 相关类别 ]:

信号通路 >> 其他 >> 其他

研究领域 >> 感染

天然产物 >> 酚类

[参考文献]

[1]. Lingappa BT, et al. Phenethyl alcohol and tryptophol: autoantibiotics produced by the fungus Candida albicans. Science. 1969 Jan 10;163(3863):192-4.

[相关活性小分子]

[ 密度 ]:
1.0±0.1 g/cm3

[ 沸点 ]:
218.2±8.0 °C at 760 mmHg

[ 熔点 ]:
−27 °C(lit.)

[ 分子式 ]:
C₈H₁₀O

[ 分子量 ]:
122.164

[ 闪点 ]:
102.2±0.0 °C

[ 精确质量 ]:
122.073166

[ PSA ]:
20.23000

[ LogP ]:
1.36

[ 外观性状 ]:
透明无色液体

[ 蒸汽密度 ]:
4.21 (vs air)

[ 蒸汽压 ]:
0.1±0.5 mmHg at 25°C

[ 折射率 ]:
1.536

[ 储存条件 ]:
库房通风低温干燥

[ 稳定性 ]:
Stable. Substances to be avoided include strong acids and strong oxidizing agents. Combustible.

[ 水溶解性 ]:
20 g/L (20 ºC)

详细MSDS(安全技术说明书)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SG7175000

CHEMICAL NAME :: Phenethyl alcohol

CAS REGISTRY NUMBER :: 60-12-8

BEILSTEIN REFERENCE NO. :: 1905732

LAST UPDATED :: 199710

DATA ITEMS CITED :: 25

MOLECULAR FORMULA :: C8-H10-O

MOLECULAR WEIGHT :: 122.18

WISWESSER LINE NOTATION :: Q2R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1790 mg/kg

TOXIC EFFECTS :: Behavioral - coma Gastrointestinal - gastritis

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >500 mg/m3

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Blood - normocytic anemia Nutritional and Gross Metabolic - body temperature decrease

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2540 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1640 mg/kg

TOXIC EFFECTS :: Behavioral - general anesthetic Behavioral - ataxia Behavioral - coma

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 790 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 2540 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6 gm/kg/30D-I

TOXIC EFFECTS :: Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood - changes in leukocyte (WBC) count Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6052 mg/kg/17W-I

TOXIC EFFECTS :: Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 43 mg/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 430 mg/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - urogenital system

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

DOSE :: 14 gm/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - other developmental abnormalities

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

DOSE :: 4300 mg/kg

SEX/DURATION :: female 6-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - musculoskeletal system

MUTATION DATA

TYPE OF TEST :: Mutation test systems - not otherwise specified

TEST SYSTEM :: Rodent - mouse Ascites tumor

DOSE/DURATION :: 8360 umol/L

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 22,2511,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80836 No. of Facilities: 873 (estimated) No. of Industries: 22 No. of Occupations: 41 No. of Employees: 34310 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80836 No. of Facilities: 10505 (estimated) No. of Industries: 44 No. of Occupations: 77 No. of Employees: 161595 (estimated) No. of Female Employees: 92702 (estimated)

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H302-H319

[ 警示性声明 ]:
P301 + P312 + P330-P305 + P351 + P338

[ 个人防护装备 ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ 危害码 (欧洲) ]:
Xn:Harmful

[ 风险声明 (欧洲) ]:
R21/22;R36/38

[ 安全声明 (欧洲) ]:
S26-S28-S36/37-S36/37/39

[ 危险品运输编码 ]:
UN 2810 6.1/PG 3

[ WGK德国 ]:
1

[ RTECS号 ]:
SG7175000

[ 包装等级 ]:
III

[ 危险类别 ]:
6.1

[ 海关编码 ]:
2906291000

详细合成路线

苯乙醇上游产品

苯乙醇下游产品

用苯乙烯单体经氧化苯乙烯制取。或将苯与环氧乙烷作用而得。
1. 氧化苯乙烯法以氧化苯乙烯在少量氢氧化钠及骨架镍催化剂存在下，在低温、加压下进行加氢即得。

2. 环氧乙烷法在无水三氯化铝存在下，由苯与环氧乙烷发生Friedel-Crafts反应制取之。

3.苯乙醇天然存在于玫瑰油、依兰油、橙花油、风信子油等，市售商品大多由合成法制备。工业上以苯乙烯与NaBrO反应，再脱去HBr并环化，最后经催化加氢得苯乙醇；或以苯与环氧乙烷在无水三氯化铝催化反应制得苯乙醇。

4. 烟草：BU，56；OR，57；BU，14；FC，BU，OR，18；OR，41；FC，BU，OR，40。

5.制法：

于装有搅拌器、回流冷凝器的反应瓶中，加入苯乙烯环氧化物(2)0.6g（5mmol），甲酸铵0.63g(10mmol),5%的Pd-C催化剂0.05g，甲醇15mL，搅拌回流2h。其间用TLC检查。反应完后，冷却，过滤，滤液减压浓缩，得化合物(1)^①0.61g,收率约100%。注：①用类似方法可以合成如下各种醇类化合物(表I-5-2)参考书173页。

^6.制法：

于3L的反应瓶中，加入120mL用金属干燥的甲苯，42g金属钠，剧烈搅拌下制成钠砂，冷却至60℃，不必倾出甲苯。迅速加入由苯乙酸乙酯(2)50g（0.3mol）和190mL无水乙醇配成的溶液，加入速度以不使反应过于剧烈而无法控制为宜。而后再加入无水乙醇250mL。反应平稳后，水浴加热直至金属钠全部反应完为止。减压蒸出乙醇和甲苯。剩余物中加水，冷却后用乙醚提取，提取液用无水硫酸镁干燥。先蒸出乙醚，而后减压蒸馏，收集116～118℃/3.3kPa的馏分，得2-苯基乙醇(1)25g，收率67%。

[ 海关编码 ]: 2906291000

[ 中文概述 ]:
HS:2906291000 2-苯基乙醇增值税率:17.0% 退税率:9.0% 监管条件:无最低关税:5.5% 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
HS:2906291000 2-phenylethanol VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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