CAS 109-79-5 MFCD00004905-1-Butanethiol 正丁硫醇 TAO{mole}

1-Butanethiol 正丁硫醇

CAS 109-79-5 MFCD00004905

化学结构图

SMILES: CCCCS

化学属性

Mol. Formula	C4H10S
Mol. Weight	90.18
Refractive index	1.4410 to 1.4450
Boiling Point	98°C
Density	0.84
Melting Point	-116
Flash Point	2°C(lit.)
TSCA	Yes
Vapor Density	3.1 (vs air)
Vapor Pressure	83 mmHg ( 37.7 °C)
Solubility	微溶于水，易溶于乙醇、乙醚等。
Stability	对空气敏感
pH	:A

别名和识别编码

Chemical Name	1-Butanethiol
Synonym	butane-1-thiol n-Butylthiol C4 硫醇丁基硫醇 butylmercaptan(non-specificname) n-Butyl thioalcohol 正丁硫醇，1-硫代丁醇 butylsulfhydrate BUTANETHIOL Butylmercaptan n-Butyl mercaptan N-butyl mercaptan 1-丁硫醇 n-butyl hydrosulphide 1-butanethiol[qr] butanethiol(non-specificname) Butan-1-thiol NCI-C60866 Butyl mercaptan, Mercaptan C4 1-硫代丁醇 1-BUTANETHIOL 1-butanethiol butanethiol[qr] FEMA 3478 硫代丁醇 N-BUTYL MERCAPTAN BUTYL MERCAPTAN 1-硫代丁醇,丁硫醇,1-丁硫醇丁琉醇
CAS Number	109-79-5
PubChem Substance ID	8012
EC Number	203-705-3
Beilstein Registry Number	1,370
MDL Number	MFCD00004905
Reaxys-RN	1730908
Merck Number	1577
Chemical Name Translation	正丁硫醇
Wiswesser Line Notation	SH4
LabNetwork Molecule ID	LN00163132
InChI	InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3

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产品应用

用作溶剂、有机合成中间体。

安全信息

GHS Symbol

WGK Germany3

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H335 May cause respiratory irritation 可能导致呼吸道刺激
H319 Causes serious eye irritation 严重刺激眼睛
H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
H302+H332
H317 May cause an allergic skin reaction 可能导致皮肤过敏

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

Hazard Codes

RTECSEK6300000

Precautionary statements

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。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338
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。
P332+P313
P501 Dispose of contents/container to..… 处理内容物/容器.....
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。
P301+P312+P330
P304+P340
P302+P352
P337+P313
P403+P233
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P303+P361+P353
P201 Obtain special instructions before use. 使用前获取专门指示。
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P370+P378
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。
P233 Keep container tightly closed. ?保持容器密闭。
P304+P340+P312
P305+P351+P338+P337+P313
P308+P311
P241+P242+P243
P405 Store locked up. 上锁保管。

Signal word

Safety Statements

Risk Statements

R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
R11 Highly flammable 非常易燃
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
R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性

UN Number 2347

Storage condition Flammables area Air Sensitive

Packing GroupII

Hazard Class3

Warnings 危化品目录(2015)

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1500 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - respiratory depression
   Behavioral - coma
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   19,171,1958

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2500 ppm/4H
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - respiratory stimulation
   Behavioral - somnolence (general depressed activity)
   Sense Organs and Special Senses (Eye) - lacrimation
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   19,171,1958

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 770 ppm/30M
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,982,1986

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4020 ppm/4H
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - respiratory stimulation
   Behavioral - somnolence (general depressed activity)
   Sense Organs and Special Senses (Eye) - lacrimation
REFERENCE :
   AIHAAP American Industrial Hygien

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 68 ppm/6H
SEX/DURATION            : female 6-16 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   8,170,1987

Restrict 危险品

其他信息

FEMA:3478
有恶臭 ,溶解性微溶于水，易溶于乙醇、乙醚等,
毒性分级:中毒
方法一:由溴丁烷与硫脲反应而得。硫脲、溴丁烷在甲醇溶剂中加热回流3h，回收甲醇后加入稀碱液再继续回流6h。冷却，慢慢加入1：2稀硫酸至pH2，随着稀硫酸的加入，就有丁硫醇蒸出。加完硫酸后通水蒸气蒸馏，蒸至无油珠馏出为止。分取油层，用无水氯化钙干燥，分馏收集97-98℃馏分即为成品。
MOL 文件:109-79-5.mol
参考质量标准:FAO/WHO，1999 含量(GT-10-4) ≥98% 折射率(n D 20 ) 1.444～1.452 相对密度(d 25 25 ) 0.842~0.847 醇中溶解度(OT-43) lmI溶于1mI。95%乙醇
可燃性危险特性:遇明火、高温、氧化剂易燃; 受热或遇酸分解有毒硫化物气体
TCI Shanghai:正丁硫醇 1-Butanethiol,>;97.0%(GC)(109-79-5)
Sigma Aldrich:109-79-5(sigmaaldrich)
MSDS 信息:正丁硫醇(109-79-5).msds
Acros Organics:1-丁硫醇 1-Butanethiol, 99+%(109-79-5)
蒸气密度:3.1 (vs air)
F:10-13-23
类别:易燃液体
储运特性:库房通风低温干燥; 防热, 明火, 火花; 与氧化剂、酸类分开存放
Alfa Aesar:1-丁硫醇,98% 1-Butanethiol, 98%(109-79-5)
蒸气压:83 mm Hg ( 37.7 °C)
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）正丁硫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
毒性:GRAS(FEMA)。
用途二:GB 2760-96规定为允许使用的食品用香料。主要用于干酪、牛肉、鸡蛋、洋葱、大蒜等制品。
职业标准:TWA 1.5 毫克/ 立方米; STEL 4.5 毫克/立方米
图谱信息:丁硫醇(109-79-5)质谱(MS) 丁硫醇(109-79-5)核磁图( 13 CNMR) 丁硫醇(109-79-5)核磁图( 1 HNMR) 丁硫醇(109-79-5)红外图谱(IR1)
急性毒性:口服- 大鼠 LD50: 1500 毫克/ 公斤; 口服- 小鼠 LD50:3000 毫克/ 公斤
灭火剂:泡沫
用途一:用于合成橡胶工业
敏感性:Air Sensitive
上游原料:无水氯化钙 --> 稀硫酸 --> 溴丁烷 --> 甲醇溶剂
丁硫醇价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 B0685 1-丁硫醇 1-Butanethiol 25ML 187元 2014/06/02 B0685 1-丁硫醇 1-Butanethiol 500ML 449元 2010/06/21 220620050 丁硫醇 1-Butanethiol 99+% 5 ML 101元
使用限量:FEMA：肉和肉制品、汤品、调味品、腌制品，均0.02mg/kg。
刺激数据:眼睛- 兔子 83 毫克中度
爆炸物危险特性:与硝酸反应激烈
用途三:有机合成中间体；警告剂。
外观性质:无色液体，有恶臭。