기본 정보
- CAS
53053-51-3- 표준 SMILES
COC(=O)CCCSC- InChIKey
HQDLZISNHUMXEA-UHFFFAOYSA-N- 분자식
- C6H12O2S
- 평균 분자량
- 148.23 g/mol
- 단동위원소 질량
- 148.05580079
개요
Methyl 4-(methylthio)butyrate is a fatty acid methyl ester.
이름 및 식별자
- 우선 이름
- Methyl 4-(methylthio)butyrate
- IUPAC
- methyl 4-methylsulfanylbutanoate
- 영어명
- METHYL 4-(METHYLTHIO)BUTYRATE
- 분자식
- C6H12O2S
- 분자량
- 148.22
이름 및 동의어
Methyl 4-(methylthio)butyrateMethyl 4-(methylthio)butanoateMethyl 4-(methylsulfanyl)butanoateButanoic acid, 4-(methylthio)-, methyl esterFEMA No. 3412methyl 4-(methyl thio) butyrateMethyl gamma-(methylthio)butyrateUNII-36I1Z35638EINECS 258-328-7Methyl gamma-(methylmercapto)butyrate36I1Z35638DTXSID00201095
이름 더 보기
FEMA 3412methyl 4-methylsulfanylbutanoateMETHYL 4-(METHYLTHIO)BUTYRATE PURE4-(methylthio)-butanoicacimethylester4-(Methylthio)butanoic acid methyl esterMETHYL 4-(METHYLTHIO)BUTYRATE 10% SOLUTION IN TRIACETIN
METHYL .GAMMA.-(METHYLTHIO)BUTYRATEMETHYL 4-(METHYLTHIO)BUTYRATE [FHFI]METHYL .GAMMA.-(METHYLMERCAPTO)BUTYRATERefChem:157573DTXCID00123586258-328-7HQDLZISNHUMXEA-UHFFFAOYSA-N53053-51-3
데이터베이스 식별자
- CAS
53053-51-3- PubChem CID
- 65425
- DTXSID
DTXSID00201095- ChEBI
CHEBI:193664- UNII
- 36I1Z35638
- EC Number
- 258-328-7
- Nikkaji
- J295.868F
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 51.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 83.1
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.953-0.957
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in alcohol
(in ethanol)
Boiling Point
110.00 °C. @ 20.00 mm Hg
52 °C (3 mm Hg); 110 °C (20 mm Hg)
Refractive Index1.467-1.477
Physical Descriptioncolourless liquid with sweet, cheesy odour in dilute solution
물리화학적 성질
- 끓는 점
- 114 · 114-115°C 40mm
- 밀도
- 1 · 1,036 g/cm3
- 굴절률
- 1.466 · 1.4660
- FEMA
- 3412 · 3412 | METHYL 4-(METHYLTHIO)BUTYRATE
- 인화점
- 72 °C · 72°C
- 냄새
- 0.1 %.과일 · 프로필렌 글리콜 중 0.10%.과일 파인애플 치즈
- 냄새 유형
- 유황의
- JECFA Number
- 474 · 474
- LogP
- 1.3 · 1.30
화학적 성질
Methy-4-(methythio)butyrate has a sweet, cheesy odor in dilute solution.
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 1.1% (1 of 93) of reports.
Warning
H315 (98.9%): 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 93 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Butanoic acid, 4-(methylthio)-, methyl ester
Butanoic acid, 4-(methylthio)-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (98.9%)
안전 데이터
- safety_code
- 23-24/25
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
응용 분야
출처Reported found in pineapple.
용도Methyl 4-(methylthio)butanoate is one of the sulfur-containing constituents found in pineapple.
공급사26 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海金赛生物科技有限公司189-1821-4718 18918214718
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
BOC Sciences[email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
中科品晟（大连）新材料有限公司18841123239 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
LYSCHEM International LLC13911018262 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
深圳利斯康医药科技有限公司+86-0755-89396905 +86-18025329037 · [email protected]
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