기본 정보
- CAS
16630-52-7- 표준 SMILES
CSC(C)CC=O- InChIKey
NCBDFIPMWRKPDU-UHFFFAOYSA-N- 분자식
- C5H10OS
- 평균 분자량
- 118.2 g/mol
- 단동위원소 질량
- 118.04523611
개요
3-(Methylthio)butanal is an aldehyde.
이름 및 식별자
- 우선 이름
- 3-(Methylthio)butanal
- IUPAC
- 3-methylsulfanylbutanal
- 영어명
- 3-(Methylthio)butanal
- 분자식
- C5H10OS
- 분자량
- 118.2
이름 및 동의어
3-(Methylthio)butanal3-(Methylthio)butyraldehydeButanal, 3-(methylthio)-3-(Methylsulfanyl)butanalpotato butyraldehydeFEMA No. 3374Butyraldehyde, 3-(methylthio)-beta-(Methylthio)butyraldehydeUNII-1B27G5W046EINECS 240-678-71B27G5W046DTXSID70864696
이름 더 보기
FEMA 3374UNII:1B27G5W046-(Methylthio)butanal3-Methylthioaldehyde3-(methylthio)-butana3-(Methylyhio)Butanal3-(Methylthio)butanai
3-METHYLSULFANYLBUTYRALDEHYDE.BETA.-(METHYLTHIO)BUTYRALDEHYDERefChem:92682DTXCID10813183(+-)-3-(METHYLTHIO)BUTANALNCBDFIPMWRKPDU-UHFFFAOYSA-N16630-52-73-methylsulfanylbutanal
데이터베이스 식별자
- CAS
16630-52-7- PubChem CID
- 61845
- DTXSID
DTXSID70864696- ChEBI
CHEBI:173459- UNII
- 1B27G5W046
- EC Number
- 240-678-7
- Nikkaji
- J318.266E
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 42.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 54
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.994-1.003
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in alcohol
(in ethanol)
Boiling Point
63.00 to 65.00 °C. @ 10.00 mm Hg
190-192 °C
Refractive Index1.473-1.517
Physical Descriptioncolourless to pale yellow liquid with green, musky, buchu odour
물리화학적 성질
- 끓는 점
- 62 · 62-64 °C10 mm Hg(lit.)
- 밀도
- 1.001 g/mL · 1.001 g/mL at 25 °C(lit.)
- 증기 밀도
- 4.1 · 4.1 (vs air)
- 증기압
- 60 mm · 60 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.476(lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 7.7% (115 of 1489) of reports.
Danger
H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1489 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Butanal, 3-(methylthio)-
Butanal, 3-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (87.5%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1989
- HS 번호
- 29309090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 등급
- 3
- Hazard Classifications
- Acute Tox. 3 InhalationAquatic Acute 1Eye Dam. 1Flam. Liq. 3Muta. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationButanal, 3-(methylthio)-: ACTIVE
응용 분야
개요3-(Methylthio)butanal has the flavor of potato chips. It is prepared by addition of methanethiol to the corresponding unsaturated aldehyde (previously cooled to -20°C), using piperidine or copper acetate as catalyst; by a patented oxo process.
출처Reported found in French fried potato and krill.
제조 방법
By addition of methanethiol to the corresponding unsaturated aldehyde (previously cooled to -20°C), using piperidine or copper acetate as catalyst; by a patented oxo process
상·하류 제품 정보
상류 원료
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