포름알데히드디메틸메르캅탈

2,4-Dithiapentane

HCID 15380CAS 1618-26-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CSCSC
InChIKey
LOCDPORVFVOGCR-UHFFFAOYSA-N
분자식
C3H8S2
평균 분자량
108.23 g/mol
단동위원소 질량
108.00674226

개요

Bis(methylthio)methane is a dithioacetal.

이름 및 식별자

우선 이름
2,4-Dithiapentane
IUPAC
bis(methylsulfanyl)methane
현지명
포름알데히드디메틸메르캅탈
영어명
Bis(methylthio)methane
분자식
C3H8S2
분자량
108.23

이름 및 동의어

Bis(methylthio)methane1618-26-4Bis(methylsulfanyl)methaneMethane, bis(methylthio)-2,4-DITHIAPENTANEBis(methylmercapto)methaneFormaldehyde dimethyl mercaptalMethylenebis(methyl sulfide)Bis[methylmercapto]methaneFEMA NO. 3878128SGX814TNSC-96010
이름 더 보기
비스(메틸싸이오)메테인포름알데히드디메틸메르캅탈FEMA 3878truffle sulfideBis(methyLCH3SCH2SCH3thio)methanebis(methylthio)methanbis(methylthio)-methan
Methylenebis[methyl sulfide]DTXSID0061822RefChem:120244DTXCID4035203216-577-9DimethylthiomethaneThioformaldehyde dimethylacetal2,4-dithiopentane

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.6
극성 표면적
50.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
5

실험 및 물리화학적 성질

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 · 3건

very slightly

very slightly soluble in water; soluble in alcohols and oils

(in ethanol)

물리화학적 성질

녹는점
148 °C · 148 °C
끓는 점
147 °C · 147 °C(lit.)
밀도
1.059 g/mL · 1.059 g/mL at 25 °C(lit.)
증기압
4.679 hPa · 4.679hPa at 20℃
굴절률
20 · n20/D 1.53(lit.)
FEMA
3878 · 3878 | BIS-(METHYLTHIO)METHANE

화학적 성질

CLEAR COLOURLESS TO PALE YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 4건

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%)

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
HS 번호
29309070
risk_code
10-36/37/38
hazard_code
Xi

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 5건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationMethane, bis(methylthio)-: ACTIVE

응용 분야

출처Reported found in Camembert and Gruyere cheeses, milk, fish oil, cooked and canned beef, shitake mushroom, truffle, prawn and lobster.

일반 설명The liquid structure of bis(methylthio)methane at room temperature was studied by the bonding and non-bonding interatomic potential functions (FMP-RMC) simulation.

상·하류 제품 정보

공급사50 곳

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]

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