기본 정보
- CAS
1534-08-3- 표준 SMILES
CSC(C)=O- InChIKey
OATSQCXMYKYFQO-UHFFFAOYSA-N- 분자식
- C3H6OS
- 평균 분자량
- 90.15 g/mol
- 단동위원소 질량
- 90.01393598
이름 및 식별자
- 우선 이름
- S-Methyl thioacetate
- IUPAC
- S-methyl ethanethioate
- 영어명
- S-Methyl thioacetate
- 분자식
- C3H6OS
- 분자량
- 90.14
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1534-08-3- PubChem CID
- 73750
- DTXSID
DTXSID3073264- ChEBI
CHEBI:51280- UNII
- PF2D4MWX79
- EC Number
- 216-252-1
- Nikkaji
- J125.731E
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
- 1
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 42
실험 및 물리화학적 성질
Solubility
soluble in oil and alcohol
(in ethanol)
Boiling Point
95.00 to 96.00 °C. @ 760.00 mm Hg
95-96 °C
Physical Description
Liquid
colourless to pale yellow liquid
Kovats Retention Index
688;675;683;671;671;675;689.6
701;702;699;689;689;702
1056;1052;1046;1041;1057;1090;1047;1056;1044;1044;1060;1050;1054;1052.2;1056.4
물리화학적 성질
- 녹는점
- 97 · 97~99℃
- 끓는 점
- 97 · 97-99°C
- 밀도
- 1 · 1,024 g/cm3
- 굴절률
- 1.464 · n/D1.464
- FEMA
- 3876 · 3876 | S-METHYL THIOACETATE
- 인화점
- 12 °C · 12°C
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 투명한 액체
- Specific Gravity
- 1.024 · 1.024
- 색상
- 무색 내지 거의 무색
- 냄새
- 0.1 % · 프로필렌 글리콜 중 0.10%. 유황 계란 치즈 유제품 야채 양배추
- 냄새 유형
- 유황의
- JECFA Number
- 482 · 482
- InChI
- 1S/C3H6OS/c1-3(4)5-2/h1-2H3
- InChIKey
- OATSQCXMYKYFQO-UHFFFAOYSA-N
- SMILES
- CSC(C)=O
- LogP
- 0.73 · 0.73
- EPA
- Ethanethioic acid, S-methyl ester (1534-08-3)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.2% (3 of 1490) of reports.
Danger
H225 (13.4%): Highly Flammable liquid and vapor [Danger Flammable liquids];H226 (86.4%): Flammable liquid and vapor [Warning Flammable liquids];H311 (99.5%): Toxic in contact with skin [Danger Acute toxicity, dermal];H319 (99.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (96.8%): Toxic if inhaled [Danger Acute toxicity, inhalation]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P337+P317, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1490 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 1490 reports by companies.;There are 8 notifications provided by 1487 of 1490 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: Ethanethioic acid, S-methyl ester
Ethanethioic acid, S-methyl ester: Does not have an individual approval but may be used under an appropriate group standard
규제 정보
Regulatory Information
Chemical: Ethanethioic acid, S-methyl ester
Ethanethioic acid, S-methyl ester: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- ridadr
- 1992
- HS 번호
- 29309090
- risk_code
- 11-20/21/22-36-24-20
- hazard_code
- F,T
- safety_code
- 16-23-29-36/37-45-26
- 포장분류
- II
- 위험 등급
- 3
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
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
응용 분야
출처Reported found in melon, strawberry, onion, Gruyere and limburger cheese, fish oil, cooked beef, pork liver, beer, whiskies, grape wines, coffee and yellow passion fruit
상·하류 제품 정보
상류 원료
공급사100 곳
관련 반응
화합물 노트
불러오는 중…