Dihydro-3(2H)-thiophenone

HCID 61252CAS 1003-04-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C1CCSC1
InChIKey
DSXFPRKPFJRPIB-UHFFFAOYSA-N
분자식
C4H6OS
평균 분자량
102.16 g/mol
단동위원소 질량
102.01393581

이름 및 식별자

우선 이름
Dihydro-3(2H)-thiophenone
IUPAC
thiolan-3-one
영어명
Tetrahydrothiophen-3-one
분자식
C4H6OS
분자량
102.15

이름 및 동의어

Tetrahydrothiophen-3-one1003-04-9Dihydrothiophen-3(2H)-one3(2H)-THIOPHENONE, DIHYDRO-Dihydro-3(2H)-thiophenone3-TetrahydrothiophenoneFEMA No. 32664,5-Dihydro-3(2H)thiophenoneUNII-0E9MKH53DV0E9MKH53DV3-thiolanoneEINECS 213-698-9
이름 더 보기
4,5-DIHYDRO-3(2H)-THIOPHENONEDihydro-3-(2H)-thiophenoneTETRAHYDROTHIOPHENE-3-ONETetrahydro-thienone3(2H)-dihydrothiophenone4,5-Dihydrothiophen-3(2H)-one3-THIOPHANONE
NSC-241151tetrahydrothien-3-onetetrahydro-thiophen-3-oneDIHYDRO-3(2H)THIOPHENONE, 4,5-DTXSID9061388FEMA 32663-Oxo-2,3,4, 5-tetrahydrothiopheneDihydro-3-(2H)-thiophenone (tetrahydrothiophen-3-one)

데이터베이스 식별자

CAS
1003-04-9
PubChem CID
61252
DTXSID
DTXSID9061388
UNII
0E9MKH53DV
EC Number
213-698-9
Nikkaji
J150.108I

물성

구조 계산 물성

XLogP
0.4
극성 표면적
42.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
6

실험 및 물리화학적 성질

SpringerMaterials PropertiesCoriolis coupling
FragrancesFragrance Ingredient (4,5-Dihydro-3(2H)thiophenone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.194-1.199 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)

물리화학적 성질

끓는 점
175 °C · 175 °C(lit.)
밀도
1.194 g/mL · 1.194 g/mL at 25 °C(lit.)
증기 밀도
1 · >1 (vs air)
굴절률
20 · n20/D 1.528(lit.)
FEMA
3266 · 3266 | 4,5-DIHYDRO-3(2H)THIOPHENONE
인화점
171 °F · 171 °F

화학적 성질

Clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (92.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1549 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 3(2H)-Thiophenone, dihydro-

Regulation (EC) No 1831/2003 (amended)

3(2H)-Thiophenone, dihydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (92.8%)

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3334
HS 번호
29349990
risk_code
36/37/38
hazard_code
Xi

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 4건

Fragrance Ingredients

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information3(2H)-Thiophenone, dihydro-: ACTIVE
응용 분야 · 3건

개요Tetrahydro-thiophene-3-one is a heterocyclic nonaromatic ketone. It has a garlic meaty, green vegetable, buttery odor. It is present in cooked beef, coffee, roast filbert, and roasted peanut. Tetrahydro-thiophene-3-one is used as a food flavoring agent. It is also a valuable organic substance key that opens the synthetic access to numerous derivatives of thiophene.

출처Reported found in cooked beef, coffee, roasted filberts and roasted peanuts.

용도Used for blending soft drinks, beverage, meat products, confectionery, and milk product flavors.

제조 방법

From 4-methoxycarboxyl-3-oxothiophane treated with 10% sulfuric acid.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁夏信达昌科技有限公司13832371507

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