Butyl methyl sulfide (HCID 12339)

名称と識別子

優先名称: Butyl methyl sulfide
IUPAC: 1-methylsulfanylbutane
現地名: ブチルメチルスルフィド
英語名: n-Butyl methyl sulfide
分子式: C5H12S
分子量: 104.21

名称と別名

Butyl methyl sulfide628-29-5n-Butyl methyl sulfideButane, 1-(methylthio)-1-methylsulfanylbutaneButyl methyl sulphide1-(Methylthio)butane2-THIAHEXANESulfide, butyl methylMethyl butyl sulfideMFCD00015256Butyl methyl thioether

名称をさらに表示

ブチルメチルスルフィド1-(メチルチオ)ブタン2-チアヘキサンメチルブチルスルフィド硫化N-ブチルメチルbutylmethylsulphide1-(methylthio)-butanbutane,1-(methylthio)-

2N5IMB9XAP.alpha.-(Methylthio)butaneMethyl butyl sulphide1-(Methylsulfanyl)butaneUNII-2N5IMB9XAPbutyl(methyl)sulfaneEINECS 211-034-21-methylsulanylbutane

データベース識別子

CAS: 628-29-5
PubChem CID: 12339
DTXSID: DTXSID0060852
ChEBI: CHEBI:229342
UNII: 2N5IMB9XAP
EC Number: 211-034-2
Nikkaji: J44.104J

物性

構造計算による物性

XLogP: 2.1
極性表面積: 25.3 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 3
重原子数: 6
形式電荷: 0
複雑度: 19

実験および物理化学的性質

Physical DescriptionColorless liquid with an unpleasant odor; [Alfa Aesar MSDS]

Kovats Retention Index · 3 件

813；811；810.1

815；815；815；810；810；801；803；820

1032.6；1029.3；1051；1043

物理化学的性質

融点: -97.85 °C · -97.85°C
沸点: 122 · 122-123°C
比重(密度): 0 · 0,85 g/cm3
屈折率: 1.4621 · 1.4621
闪点: 20 °C · 20°C
外見: 液体
色: Colorless to Almost colorless
臭い (Odor): 0.01 %。硫黄ニンニク玉ねぎ野菜 · プロピレングリコール中0.01%。硫黄ニンニク玉ねぎ野菜
においのタイプ: 硫黄の
臭気閾値(Odor Threshold): 0.00018 ppm · 0.00018ppm
比熱容量: 1.93 J/ · Cp(liquid): 1.93 J/(g·K), at 25℃
BRN: 1730959 · 1730959
Henry's Law Constant: 3.4 · 3.4×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
LogP: 2.506 · 2.506 (est)
CAS データベース: 628 · 628-29-5(CAS DataBase Reference)
EPAの化学物質情報: 1 · Butane, 1-(methylthio)- (628-29-5)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 3 件

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Cease Manufacture Update: 28-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20120

Butane, 1-(methylthio)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Diethyl sulfide.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (88.9%)；Eye Irrit. 2 (88.9%)；STOT SE 3 (88.9%)

法規制情報

Regulatory Information · 3 件

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Cease Manufacture Update: 28-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20120

Butane, 1-(methylthio)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

tsca: TSCA listed
ridadr: 1993
hs_code: 2930.20.9050
risk_code: 11
消防法: 危-4-1-II
safety_code: 16-23-33
hazard_class: 3
packing_group: II

化学と産業

用途と製造

General Manufacturing InformationButane, 1-(methylthio)-: ACTIVE

サプライヤー40 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

ブチルメチルスルフィド

基本情報