기본 정보
- CAS
15679-13-7- 표준 SMILES
Cc1csc(C(C)C)n1- InChIKey
OFLXNHNYPQPQKW-UHFFFAOYSA-N- 분자식
- C7H11NS
- 평균 분자량
- 141.24 g/mol
- 단동위원소 질량
- 141.06122053
개요
2-isopropyl-4-methylthiazole is a 1,3-thiazole that is substituted at positions 2 and 4 by isopropyl and methyl groups, respectively. A fruit flavour intensifier, it has a peach flavour with distinct vegetable and tropical notes. Also used in apricot, nectarine, durian, mango, pear and blackcurrant flavours. Present in Indonesian durian fruit (Durio zibethinus), red tomatoes, yeast extract, coriander seed oil, and roast meats. It has a role as a flavouring agent and a Maillard reaction product.
이름 및 식별자
- 우선 이름
- 2-Isopropyl-4-methylthiazole
- IUPAC
- 4-methyl-2-propan-2-yl-1,3-thiazole
- 영어명
- 2-Isopropyl-4-methyl thiazole
- 분자식
- C7H11NS
- 분자량
- 141.23
이름 및 동의어
2-Isopropyl-4-methylthiazole15679-13-7Thiazole, 4-methyl-2-(1-methylethyl)-tropical thiazole4-Methyl-2-(1-methylethyl)thiazoleThiazole, 2-isopropyl-4-methyl-FEMA No. 3555peach thiazole4-methyl-2-propan-2-yl-1,3-thiazole2-Isopropyl-4-methyl-1,3-thiazole4-methyl-2-(propan-2-yl)-1,3-thiazoleisopropyl methyl thiazole
이름 더 보기
FEMA NUMBER 35552-Isopropyl-4-Mehtyl thiazoleThiazole, 4-methyl-2-isopropyl2-Isopropyl-4-methytl thiazole
NQF7JO3MUPFEMA 3555EINECS 239-758-44-Methyl-2-isopropylthiazoleDTXSID0047664CHEBI:1336792-ISOPROPYL-4-METHYLTHIAZOLE [FHFI]RefChem:473894
데이터베이스 식별자
- CAS
15679-13-7- PubChem CID
- 61808
- DTXSID
DTXSID0047664- ChEBI
CHEBI:133679- UNII
- NQF7JO3MUP
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 41.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 92.9
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (2-Isopropyl-4-methylthiazole) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.001-1.006
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water; Miscible in fats
Miscible at room temperature (in ethanol)
Boiling Point92 °C (50 mm Hg)
Refractive Index1.480-1.502
Physical DescriptionColourless to pale yellow liquid; green, herbaceous, vegetable, earthy odour
물리화학적 성질
- 끓는 점
- 92 °C50 · 92 °C50 mm Hg(lit.)
- 밀도
- 1.001 g/mL · 1.001 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.5(lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (10.2%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1753 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: Thiazole, 4-methyl-2-(1-methylethyl)-
Regulation (EC) No 1831/2003 (amended)
Thiazole, 4-methyl-2-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (10.2%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29341000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39-37/39
- 포장분류
- III
- 위험 등급
- 3
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Household ProductsInformation on 1 consumer products that contain 2-Isopropyl-4-methylthiazole in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationThiazole, 4-methyl-2-(1-methylethyl)-: ACTIVE
응용 분야
개요2-Isopropyl-4-methylthiazole is green, vegetable, nutty, rooty, and earthy.
출처Reported found in roasted meat, fried potato, tomato, oat g
공급사100 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]
枣庄九星生物科技有限公司0632-3759569 13589608009
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…