CAS 98-85-1 MFCD00004508-α-Methylbenzyl alcohol 1-苯基乙醇 TAO{mole}

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 Alpha-Methylbenzenemethanol {} {} {} {LY} a-Methylbenzenemethanol {} {} {} {} {} {} {} {} {hazard_com} Styralyl alcohol {} {} {} {} {} {uni_hamburg} Methyl-phenyl-carbino {} {} {} {} {} {} {Chemicalbook} MBA {} {} {} {} {} {} {} {Chemicalbook} DL-ALPHA-METHYLBE {} {} {} {} {} {} {} {} {Chemicalbook} DL-2-METHYL PHENYL METHANOL {} {} {} {} {} {} {} {} {} {Chemicalbook} DL-1-PHENYLETHANOL {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hambur
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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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。

安全信息

GHS Symbol

WGK Germany1

Hazard statements

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

Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Hazard Codes 6.1 Xn

RTECSDO9275000

Precautionary statements

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.....

Signal word Danger Warning

Safety Statements

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；

UN Number 2937 UN2937

Risk Statements

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

Packing GroupIII

Storage condition +20°C 密封阴凉干燥保存。

Hazard Class6.1

Warnings 危化品目录(2015)

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

Restrict 危险品

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