S-Methyl thioacetate

HCID 73750

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

S-Methyl thioacetate1534-08-3S-Methyl ethanethioateEthanethioic acid, S-methyl esterMethylthioacetatePF2D4MWX791-(methylsulfanyl)ethan-1-oneDTXSID3073264FEMA NO. 3876CHEBI:51280RefChem:884259DTXCID8034956
이름 더 보기
FEMA 3876CH3C(O)SCH3S-MethylThioacetate>S-METHYL ACETOTHIOACETATES-Methyl Thioacetate 98%Pineapple alcohol acetate
DTXCID20285251216-252-1DTXSID10334161Methyl thioacetateS-METHYLTHIOACETATEMethanethiol acetateThioacetic acid S-methyl esterMethyl thiolacetate

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

실험 및 물리화학적 성질

Density0.817-0.825
Solubility · 2건

soluble in oil and alcohol

(in ethanol)

Boiling Point · 2건

95.00 to 96.00 °C. @ 760.00 mm Hg

95-96 °C

Refractive Index1.460-1.468
Physical Description · 2건

Liquid

colourless to pale yellow liquid

Kovats Retention Index · 3건

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

안전 및 규제

GHS 분류

GHS Classification · 6건

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 · 2건

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

Hazard Classes and CategoriesFlam. Liq. 2 (13.4%);Flam. Liq. 3 (86.4%);Acute Tox. 3 (99.5%);Eye Irrit. 2 (99.5%);Acute Tox. 3 (96.8%)

규제 정보

Regulatory Information · 2건

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

화학 및 산업

약리 정보

Cellular LocationsCytoplasm;Extracellular

용도 및 제조

Use Classification · 5건

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

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
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]

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