1-Methylthio-2-propanone (HCID 6430713)

개요

(Methylthio)acetone is a ketone.

이름 및 식별자

우선 이름: 1-Methylthio-2-propanone
IUPAC: 1-methylsulfanylpropan-2-one
영어명: 1-Methylthio-2-propanone
분자식: C4H8OS
분자량: 104.17

이름 및 동의어

1-methylthio-2-propanone14109-72-9(Methylthio)acetone2-Propanone, 1-(methylthio)-1-(methylsulfanyl)propan-2-one1-(methylthio)-2-propanone2-Thia-4-pentanoneFEMA No. 3882alpha(Methylthio)acetoneS6V0DW7BQA1-Methylthio-2-propanone [FHFI]alpha-(Methylthio)propanone

이름 더 보기

Methylthio propanone1-Methylthiopropanone1-(methylthio)acetoneacetonyl methyl sulfideAcetonyl methyl sulphide(Methylthio)acetone, 98+%1-(Methylthio)propan-2-one3-(Methylthio)-2-propanone

DTXSID30161572.ALPHA.(METHYLTHIO)ACETONE.ALPHA.-(METHYLTHIO)PROPANONERefChem:434686DTXCID5084063(Methylthio)acetone, alpha(Methylthio)acetone604-217-71-methylsulfanylpropan-2-one

데이터베이스 식별자

CAS: 14109-72-9
PubChem CID: 6430713
DTXSID: DTXSID30161572
ChEBI: CHEBI:179438
UNII: S6V0DW7BQA
EC Number: 604-217-7
Nikkaji: J325.159D

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 42.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 51.5

실험 및 물리화학적 성질

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

Density0.967-0.973

Flavoring AgentsEU Flavoring substances

Solubility · 3건

very slightly

very slightly soluble in water; soluble in alcohols and oils

(in ethanol)

Boiling Point · 2건

35.00 to 40.00 °C. @ 15.00 mm Hg

35-40 °C (15 mm Hg)

Refractive Index1.395-1.405

물리화학적 성질

끓는 점: 69 · 69-70°C 30mm
밀도: 1 · 1,023 g/cm3
굴절률: 1.474 · 1.4740
FEMA: 3882 · 3882 | 1-METHYLTHIO-2-PROPANONE
인화점: 52 °C · 52°C
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 무색
Specific Gravity: 1.023 · 1.023
냄새: 0.1 % · 디프로필렌 글리콜 중 0.10%. 멜론
냄새 유형: 멜론
수용성: 알코올에 용해되고 물에 약간 용해됩니다.
JECFA Number: 495 · 495
BRN: 1737738 · 1737738
LogP: 0.49 · 0.49

화학적 성질

1-Methylthio-2-propanone has an odor reminiscent of melon.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1383 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationChemical: 2-Propanone, 1-(methylthio)-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

ridadr: 1224
risk_code: 10
safety_code: 23-24/25
포장분류: III
위험 등급: 3

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 5건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

응용 분야

용도1-Methylthio-2-propanone is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.