(メチルチオ)アセトアルデヒドジメチルアセタール

(Methylthio)acetaldehyde dimethyl acetal

HCID 638113CAS 40015-15-4

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(CSC)OC
InChIKey: DVOAQLUDKIFSNB-UHFFFAOYSA-N
分子式: C5H12O2S
平均分子量: 136.21 g/mol
単同位体質量: 136.05580079

名称と識別子

優先名称: (Methylthio)acetaldehyde dimethyl acetal
IUPAC: 1,1-dimethoxy-2-methylsulfanylethane
現地名: (メチルチオ)アセトアルデヒドジメチルアセタール
英語名: 1,1-Dimethoxy-2-(methylthio)ethane
分子式: C5H12O2S
分子量: 136.21

名称と別名

40015-15-4(Methylthio)acetaldehyde dimethyl acetal1,1-dimethoxy-2-(methylthio)ethaneethane, 1,1-dimethoxy-2-(methylthio)-DTXSID90348544RefChem:406620DTXCID20299616628-705-4InChI=1/C5H12O2S/c1-6-5(7-2)4-8-3/h5H,4H2,1-3H(Methylthio)acetaldehydedimethylacetal1,1-dimethoxy-2-methylsulfanylethaneMFCD00009848

名称をさらに表示

(メチルチオ)アセトアルデヒドジメチルアセタール(メチルメルカプト)アセトアルデヒドジメチルアセタール1,1-ジメトキシ-2-(メチルチオ)エタン(メチルチオ)アセトアルデヒドジメチルアセタール2-(Methylthio)Ethane,1,1-diMethoxy-2-(Methylthio)-(Methylthio)acetaldehydeDimethylAcetal>(METHYLMERCAPTO)ACETALDEHYDE DIMETHYL ACETAL(Methylthio)acetaldehyde diMethyl acetal 97%1,1-Dimethoxy-2-(methylthio)ethane (Methylmercapto)acetaldehyde Dimethyl Acetal

1,1-DIMETHOXY-2-(METHYLSULFANYL)ETHANE1,1-dimethoxy-2-methylsulfanyl-ethane(Methylmercapto)acetaldehyde Dimethyl AcetalSCHEMBL490352DVOAQLUDKIFSNB-UHFFFAOYSA-N(2,2-dimethoxyethyl)(methyl)sulfaneAKOS009157082AS-47747

データベース識別子

CAS: 40015-15-4
PubChem CID: 638113
DTXSID: DTXSID90348544
EC Number: 628-705-4
Nikkaji: J1.320.744E

物性

構造計算による物性

XLogP: 0.7
極性表面積: 43.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 8
形式電荷: 0
複雑度: 45

物理化学的性質

沸点: 59 · 59-60 °C13 mm Hg(lit.)
比重(密度): 1.022 g/mL · 1.022 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.4528(lit.)
闪点: 2 °F · −2 °F
貯蔵温度: 2 · 2-8°C, stored under nitrogen
外見: 液体
色: 無色透明
BRN: 773689 · 773689
LogP: 1.146 · 1.146 (est)
CAS データベース: 40015 · 40015-15-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (91.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (91.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): 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 46 reports by companies from 6 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

Hazard Classes and CategoriesFlam. Liq. 2 (91.3%)；Skin Irrit. 2 (91.3%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 2
hs_code: 29309099
risk_code: 11-36/37/38
消防法: 危-4-1-II
hazard_code: F,Xi
safety_code: 16-26-36/37/39
hazard_class: 3
packing_group: II

化学と産業

応用分野

使用(Methylthio)acetaldehyde dimethyl acetal may be used in chemical synthesis studies.

上流・下流製品情報

上流原料

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