2,4-Dithiapentane (HCID 15380)

概要

Bis(methylthio)methane is a dithioacetal.

名称と識別子

優先名称: 2,4-Dithiapentane
IUPAC: bis(methylsulfanyl)methane
現地名: ビス(メチルチオ)メタン
英語名: Bis(methylthio)methane
分子式: C3H8S2
分子量: 108.23

名称と別名

Bis(methylthio)methane1618-26-4Bis(methylsulfanyl)methaneMethane, bis(methylthio)-2,4-DITHIAPENTANEBis(methylmercapto)methaneFormaldehyde dimethyl mercaptalMethylenebis(methyl sulfide)Bis[methylmercapto]methaneFEMA NO. 3878128SGX814TNSC-96010

名称をさらに表示

ビス(メチルチオ)メタンホルムアルデヒドジメチルメルカプタールホルムアルデヒドジメチルジチオアセタールビス(メチルメルカプト)メタン2,4-ジチアペンタンメチレンビス(メチルスルフィド)ジ(メチルチオ)メタンFEMA 3878truffle sulfideBis(methyLCH3SCH2SCH3thio)methanebis(methylthio)methanbis(methylthio)-methan

Methylenebis[methyl sulfide]DTXSID0061822RefChem:120244DTXCID4035203216-577-9DimethylthiomethaneThioformaldehyde dimethylacetal2,4-dithiopentane

データベース識別子

CAS: 1618-26-4
PubChem CID: 15380
DTXSID: DTXSID0061822
ChEBI: CHEBI:167064
UNII: 128SGX814T
EC Number: 216-577-9
Nikkaji: J7.534E

物性

構造計算による物性

XLogP: 1.6
極性表面積: 50.6 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 5
形式電荷: 0
複雑度: 12.4

実験および物理化学的性質

SpringerMaterials PropertiesSchoenflies notation

FragrancesFragrance Ingredient (bis-(Methylthio)methane) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.959-1.059

Flavoring AgentsEU Flavoring substances

Solubility · 3 件

very slightly

very slightly soluble in water; soluble in alcohols and oils

(in ethanol)

物理化学的性質

融点: 148 °C · 148 °C
沸点: 147 °C · 147 °C(lit.)
比重(密度): 1.059 g/mL · 1.059 g/mL at 25 °C(lit.)
蒸気圧: 4.679 hPa · 4.679hPa at 20℃
屈折率: 20 · n20/D 1.53(lit.)
FEMA: 3878 · 3878 | BIS-(METHYLTHIO)METHANE
闪点: 111 °F · 111 °F
貯蔵温度: 2 · Inert atmosphere,2-8°C
溶解性: 混和しない
外見: liquid
色: 100 · APHA: ≤100
比重: 1.059 · 1.059
臭い (Odor): 0.1 %。ニンニク、硫黄、緑、スパイシーなキノコの匂い · プロピレングリコール中0.10%。ニンニク、硫黄、緑、スパイシーなキノコの匂い
においのタイプ: 硫黄の
由来生物: synthetic
水溶解度: 混和しない
Merck: 14 · 14,1256
JECFA Number: 533 · 533
BRN: 1731143 · 1731143
主な用途: フレーバーそして香料
InChI: 1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3
InChIKey: LOCDPORVFVOGCR-UHFFFAOYSA-N
SMILES: CSCSC
LogP: 2.31 at · 2.31 at 20℃
CAS データベース: 1618 · 1618-26-4(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2,4-Dithiapentane(1618-26-4)
EPAの化学物質情報: Methane, bis(methylthio)- (1618-26-4)

化学的性質

化学的特性CLEAR COLOURLESS TO PALE YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (12.2%): Flammable liquid and vapor [Warning Flammable liquids]

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 1464 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Methane, bis(methylthio)-

Regulation (EC) No 1831/2003 (amended)

REACH registered substance: 2,4-dithiapentane (EC: 216-577-9)

Methane, bis(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (12.2%)

安全データ

F: 13
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29309070
risk_code: 10-36/37/38
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 16-26-36/37/39
hazard_class: 3
packing_group: III
Hazard Classifications: Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Use Classification · 5 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationMethane, bis(methylthio)-: ACTIVE

応用分野 · 3 件

用途有機合成原料、香料材料。

天然物の起源Reported found in Camembert and Gruyere cheeses, milk, fish oil, cooked and canned beef, shitake mushroom, truffle, prawn and lobster.

一般的な説明The liquid structure of bis(methylthio)methane at room temperature was studied by the bonding and non-bonding interatomic potential functions (FMP-RMC) simulation.

調製方法 · 1 件

純化方法Work in an efficient fume cupboard as the substance may contain traces (or more) of methylmercaptan which has a very bad odour. Dissolve the mercaptal in Et2O, shake it with aqueous alkalis then dry it over anhydrous K2CO3, filter and distil it over K2CO3 under a stream of N2. If the odour is very strong, then allow all gas efluents to bubble through 5% aqueous NaOH solution which is then treated with dilute KMnO4 in order to oxidise MeSH to odourless products. UV: max 238 nm (log 2.73) [Fehnel & Carmack J Am Chem Soc 71 90 1949, Fehér & Vogelbruch Chem Ber 91 996 1958, B.hme & Marz Chem Ber 74 1672 1941]. Oxidation with aqueous KMnO4 yields bis-(methylsulfonyl)methane which has m 142-143o [Fiecchi et al. Tetrahedron Lett 1681 1967]. [Beilstein 1 IV 3088.]

上流・下流製品情報

上流原料

1H-Isoindole-1,3(2H)-dione, 2-[(methylthio)methyl]-ジブトキシメタンメチル(メチルスルフィニル)メチルスルフィドジクロロメタンジメチルスルホキシドメタンチオール

下流製品

N-メチルアントラニル酸メチル 3,4-ジクロロフラン-2,5-ジオンメタンチオスルホン酸S-メチルトリメチルスルホニウムブロミドクロロメチルメチルスルフィド

サプライヤー50 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]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

ビス(メチルチオ)メタン

基本情報

概要