기본 정보
- 표준 SMILES
CSCCCO- InChIKey
CZUGFKJYCPYHHV-UHFFFAOYSA-N- 분자식
- C4H10OS
- 평균 분자량
- 106.19 g/mol
- 단동위원소 질량
- 106.04523594
개요
3-methylthiopropanol is an alkyl sulfide that is propan-1-ol substituted by a methylsulfanyl group at position 3. It is a volatile compound found in wines and produced during fermentation. It has a role as a Saccharomyces cerevisiae metabolite. It is an aliphatic sulfide and a methyl sulfide. It is functionally related to a propan-1-ol.
이름 및 식별자
- 우선 이름
- 3-(Methylthio)-1-propanol
- IUPAC
- 3-methylsulfanylpropan-1-ol
- 현지명
- 메티오놀
- 영어명
- 3-Methylthiopropanol
- 분자식
- C4H10OS
- 분자량
- 106.19
이름 및 동의어
Methionol505-10-23-(Methylthio)-1-propanol3-(METHYLTHIO)PROPANOL1-Propanol, 3-(methylthio)-3-Hydroxypropyl methyl sulfide3-Methylmercapto-1-propanolgamma-Methylmercaptopropyl alcoholFEMA No. 3415H1E1U441XXNSC-2859DTXSID7060128
이름 더 보기
3-(메틸티오)프로판올메티오놀3-(methylsulfanyl)propanolFEMA 34153-Methionol3-Methylthio-1-propanol>=98.0%MethinolMethionol>
RefChem:811746DTXCID4040846208-004-63-methylthiopropanol3-(methylthio)propan-1-ol3-(methylsulfanyl)propan-1-ol3-Methylthio-1-propanol3-methylsulfanylpropan-1-ol
데이터베이스 식별자
- CAS
505-10-2- PubChem CID
- 10448
- DTXSID
DTXSID7060128- ChEMBL
CHEMBL332887- ChEBI
CHEBI:49019- UNII
- H1E1U441XX
- EC Number
- 208-004-6
- Nikkaji
- J97.164B
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 45.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 23.5
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (3-(Methylthio)propanol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.027-1.033
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; soluble in alcohol, propylene glycol and oils
(in ethanol)
Boiling Point
89.00 to 90.00 °C. @ 13.00 mm Hg
195 °C; 93-94 °C (17mm Hg)
Refractive Index1.483-1.493
Physical Descriptionpale yellowish, mobile liquid; powerful sweet, soup or meat-like odour
물리화학적 성질
- 녹는점
- -100 °C · -100°C (estimate)
- 끓는 점
- 89 · 89-90 °C13 mm Hg(lit.)
- 밀도
- 1.03 g/mL · 1.03 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.49(lit.)
- FEMA
- 3415 · 3415 | 3-(METHYLTHIO)PROPANOL
- 인화점
- 195 °F · 195 °F
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 14.87 · 14.87±0.10(Predicted)
- 물리적 상태
- 액체 (추정)
- Specific Gravity
- 1.03 · 1.03
- 색상
- 무색투명~연황색
- 냄새
- 0.1 % · 프로필렌 글리콜 중 0.10%. 유황 양파 달콤한 수프 야채
- 냄새 유형
- 고기가 많은
- 생물학적 소스
- synthetic
- JECFA Number
- 461 · 461
- InChI
- 1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
- InChIKey
- CZUGFKJYCPYHHV-UHFFFAOYSA-N
- SMILES
- CSCCCO
- LogP
- 0.4 · 0.40
- NIST
- 1 · 1-Propanol, 3-(methylthio)-(505-10-2)
- EPA
- Methionol (505-10-2)
화학적 성질
Colorless Liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 48.2% (81 of 168) of reports.
Warning
H315 (51.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 168 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1-Propanol, 3-(methylthio)-
Regulation (EC) No 1831/2003 (amended)
1-Propanol, 3-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (51.8%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3334
- HS 번호
- 29309090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-24/25-36/37/39
- 기존화학 물질
- KE-25363
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
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 Information1-Propanol, 3-(methylthio)-: ACTIVE
응용 분야
개요3-(Methylthio)propanol has a powerful sweet soup or meat-like odor and flavor in high dilution. May be prepared from propylene chlorhydrin and sodium hydrosulfide.
출처Reported found in fermented soy sauce, tomatoes, grape wines, apple, melon, pineapple, asparagus, rye bread, cheeses, cured pork, beer, cognac, malt whiskey, cider, sherry, coffee, litchi, shrimp and apple brandy
용도3-Methylthiopropanol is used in the meat essence composition.It is also used in meat, potato, and cheese flavorings.
일반 설명3-(Methylthio)-1-propanol is a volatile sulfur flavor compound mainly found in wine and soy sauce.
제조 방법
From propylene chlorhydrin and sodium hydrosulfide
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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추가 설명
정의ChEBI: An alkyl sulfide that is propan-1-ol substituted by a methylsulfanyl group at position 3. It is a volatile compound found in wines and produced during fermentation.
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