CAS 123-51-3 MFCD00002934-3-Methyl-1-Butanol 异戊醇 TAO{mole}

3-Methyl-1-Butanol 异戊醇

CAS 123-51-3 MFCD00002934

化学结构图

SMILES: CC(C)CCO

化学属性

Mol. Formula	C5H12O
Mol. Weight	88.15
Refractive index	1.4020 to 1.4070
Boiling Point	130
Density	0.809
Melting Point	-117
Flash Point	46°C(lit.)
TSCA	Yes
Autoignition Point	644 °F
Vapor Density	3 (vs air)
Vapor Pressure	2 mmHg ( 20 °C)
Solubility	25 G/L (20 ºC)

别名和识别编码

Chemical Name	3-Methyl-1-Butanol
Synonym	1-Hydroxy-3-methylbutane 1-Hydroxy-3-methylbutane; Isoamyl alcohol; Isopentyl alcohol 2-Methyl-4-butanol 3-METHYL BUTANOL 3-Methyl-1-butanol 3-Methylbutan-1-ol 3-Metil-butanolo 3-甲基-1-丁醇 3-甲基-1-丁醇, ACS, 98.5+% 3-甲基丁醇 FEMA 2057 ISOAMYL ALCOHOL ISOPENTANOL Isoamyl alcohol Isoamyl alcohol, Isobutylcarbinol Isoamyl alcohol, primary METHYL-BUTANOL NATURAL ISO AMYL ALCOHOL 异丁原醇异丁基甲醇
CAS Number	123-51-3
PubChem Substance ID	31260
EC Number	204-633-5
Beilstein Registry Number	1718835
MDL Number	MFCD00002934
Reaxys-RN	1718835
Merck Number	5195
Chemical Name Translation	异戊醇
Wiswesser Line Notation	Q2Y1&1
LabNetwork Molecule ID	LN00163016
InChI	InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

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产品应用

脂肪、树脂、生物碱的溶剂, 测定牛乳中的脂肪, 测定铁、硅、钍及杂醇油等。也用于铁、钴、铜盐和二苯碳酰二肼的络合萃取。氯化锂与其他碱金属氯化物的分离。

安全信息

GHS Symbol

WGK Germany1

Hazard Codes 3

Hazard statements

H226 Flammable liquid and vapour 易燃液体和蒸气
H332 Harmful if inhaled 吸入有害
H335 May cause respiratory irritation 可能导致呼吸道刺激
H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
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

RTECSEL5425000

Precautionary statements

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。
P233 Keep container tightly closed. ?保持容器密闭。
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P241+P242+P243
P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
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。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
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
P304+P340+P312
P305+P351+P338
P305+P351+P338+P310
P305+P351+P338+P337+P313
P307+P311
P308+P311
P337+P313
P370+P378
P403+P233
P403+P235
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Danger Warning

UN Number 1105 1201/1105 UN1105

Risk Statements

R10 Flammable 易燃
R20 Harmful by inhalation 吸入有害
R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
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 Irritating to respiratory system 刺激呼吸道
R66 Repeated exposure may cause skin dryness or cracking 反复接触可能导致皮肤干燥或皴裂

Safety Statements

S46 If swallowed, seek medical advice immediately and show this container or label 食入时，立即求医并出示容器/标签；

Packing GroupIII

Storage condition 密封阴凉处保存。 Flammables area

Hazard Class3

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           : 27 gm/kg/75W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
   Blood - leukemia
REFERENCE :
   ARGEAR Archiv fuer Geschwulstforschung.  (VEB Verlag Volk und Gesundheit
   Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.)  V.1-    1949-
   Volume(issue)/page/year: 45,19,1975

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3800 mg/kg/85W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
   Blood - leukemia
REFERENCE :
   ARGEAR Archiv fuer Geschwulstforschung.  (VEB Verlag Volk und Gesundheit
   Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.)  V.1-    1949-
   Volume(issue)/page/year: 45,19,1975

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Human
DOSE/DURATION           : 150 ppm
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - effect, not otherwise
   specified
   Sense Organs and Special Senses (Eye) - conjunctive irritation
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 25,282,1943

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1300 mg/kg
TOXIC EFFECTS :
   Liver - fatty liver degeneration
   Kidney, Ureter, Bladder - other changes
   Blood - other changes
REFERENCE :
   SAMJAF South African Medical Journal.  (Medical Assoc. of South Africa,
   Secy., P.O. Box 643, Cape Town, S. Africa)  V.6-    1932-
   Volume(issue)/page/year: 43,795,1969

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 813 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 7480 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD

Restrict 危险品

其他信息

图谱信息:异戊醇(123-51-3)核磁图( 13 CNMR) 异戊醇(123-51-3)质谱(MS) 异戊醇(123-51-3)红外图谱(IR2) 异戊醇(123-51-3)红外图谱(IR1)
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）异戊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
MSDS 信息:异戊醇(123-51-3).msds
毒性分级:中毒
{Chemical
Alfa Aesar:3-甲基-1-丁醇,mixtureofisomers,99% 3-Methyl-1-butanol, mixture of isomers, 99%(123-51-3)
储运特性:库房通风低温干燥; 与氧化剂分开存放
FEMA:2057
蒸气密度:
用途三:GB 2760一96规定为允许使用的食用香料。主要用以配制苹果和香蕉等型香精。
灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
外观性质:无色液体，有不愉快的气味。
用途五:脂肪、树脂、生物碱的溶剂, 测定牛乳中的脂肪, 测定铁、硅、钍及杂醇油等。也用于铁、钴、铜盐和二苯碳酰二肼的络合萃取。氯化锂与其他碱金属氯化物的分离。
异戊醇价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 10
TCI Shanghai:3-甲基-1-丁醇 3-Methyl-1-butanol,>;98.0%(GC)(123-51-3
color:<;20(APHA)
上游原料:正戊烷 --> 香兰素 --> 麦芽糖一水合物 --> 杂醇油 --
海关编码:29335995
用途二:用于制造香料、医药和选矿药剂，还可用作溶剂
类别:易燃液体
Sigma Aldrich:123-51-3(sigmaaldrich)
使用限量:FEMA(mg/kg)：软饮料17；冷饮7.6；糖果52；焙烤食品24；布丁类46；胶姆糖300；酒类100。适度为限(FDA§172．515，2000)。
爆炸物危险特性:与空气混合可爆
下游产品:频哪酮 --> 氟哌酸 --> 噻嗪酮 --> 亚硝酸异戊酯 --> 频那酮(3,3-二甲基丁酮-2) --> (1-(4-羟甲基-6-三氟甲基嘧啶-2-基)哌啶-4-基)甲醇 --> 2-(4-羟基哌啶-1-基)-6-三氟甲基嘧啶-4-甲酰胺 --> 1-(4-羟甲基-6-三氟甲基嘧啶-2-基)哌啶-4-醇 --> 2-(4-羟甲基哌啶-1-基)-6-三氟甲基嘧啶-4-甲酰胺 --> 异戊酸 --> 2-(4-羟基哌啶-1-基)-6-三氟甲基嘧啶-4-甲酸乙酯 --> 2-(4-羟甲基哌啶-1-基)-6-三氟甲基嘧啶-4-甲酸乙酯 --> 2-(4-乙氧基羰基哌嗪-1-基)-6-三氟甲基嘧啶-4-甲酸乙酯 --> 异戊醛 --> 乙基(异戊基)丙二酸二乙酯 --> 异戊酸异戊酯 --> 降钙素 --> 1,3-苯并二硫代吡咯四氟化硼盐 --> 乙酸异戊酯 --> 异戊基丙二酸二乙酯 --> 1-溴代异戊烷 --> 庚二酸 --> 溴米索伐 --> 丁酸异戊酯 --> N,N-二乙基-4-硝基苯胺 --> 异丁酸异戊酯 --> 氯苯扎利 --> 异戊基黄药 --> 辛酸异戊酯 --> N,N-二环己脲 --> 苯乙酸异戊酯 --> 甲酸异戊酯 --> 水杨酸戊酯
毒性:GRAS(FEMA)。
有特臭，遇火燃烧，能与醇、醚、苯、氯仿、石油醚、冰乙酸及油类任意混溶，微溶于水(14℃时，2g/100ml)。低毒，半数致死量(大鼠，经口)1300mg/kg。
{Chemicalbook
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