기본 정보
- CAS
13623-11-5- 표준 SMILES
Cc1nc(C)c(C)s1- InChIKey
BAMPVSWRQZNDQC-UHFFFAOYSA-N- 분자식
- C6H9NS
- 평균 분자량
- 127.21 g/mol
- 단동위원소 질량
- 127.04557046
이름 및 식별자
- 우선 이름
- 2,4,5-Trimethylthiazole
- IUPAC
- 2,4,5-trimethyl-1,3-thiazole
- 영어명
- Trimethyl thiazole
- 분자식
- C6H9NS
- 분자량
- 127.21
이름 및 동의어
2,4,5-Trimethylthiazole13623-11-5Trimethylthiazoletrimethyl-1,3-thiazoleThiazole, 2,4,5-trimethyl-FEMA No. 3325NSC-1706146393273PE0DTXSID5065564CHEBI:78738RefChem:82053DTXCID4034362
이름 더 보기
FEMA 33252,4,5-Trimethylthiazole ,99%219185-5GFEMA NUMBER 33252,4,5-TRIMETHYLANILINE
237-107-9trimethyl thiazole2,4,5-Trimethyl-1,3-thiazoleThiazole, trimethyl-MFCD000053322,4,5-trimethyl thiazoletrimethyl-thiazoleTrioctyltrimellitate
데이터베이스 식별자
- CAS
13623-11-5- PubChem CID
- 61653
- DTXSID
DTXSID5065564- ChEBI
CHEBI:78738- UNII
- 6393273PE0
- EC Number
- 237-107-9
- Nikkaji
- J40.173K
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 41.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 84
실험 및 물리화학적 성질
Density1.011-1.015
Solubility
slightly
Soluble in organic solvents
Miscible at room temperature (in ethanol)
Boiling Point
166.00 to 167.00 °C. @ 717.50 mm Hg
65-67 °C (20 mm Hg)
Refractive Index1.503-1.511
Physical DescriptionClear colourless liquid; cocoa, dark chocolate, nutty, coffee-like odour
Kovats Retention Index
973；974；976；997；997；997；972；973；974；981；1028；965；981；969；969；973.1
990；990；990；1007；997；996；1000；995；997；997；995
1380；1362；1378；1390；1366；1377；1385；1387；1380；1380；1380；1358；1362；1367；1390；1377；1370；1398；1394；1398
물리화학적 성질
- 녹는점
- -32.4 °C · -32.4°C
- 끓는 점
- 166 · 166-167 °C/717 mmHg (lit.)
- 밀도
- 1.013 g/mL · 1.013 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.509(lit.)
- FEMA
- 3325 · 3325 | 2,4,5-TRIMETHYLTHIAZOLE
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1453 reports by companies from 13 notifications to the ECHA C&L Inventory.；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: Thiazole, 2,4,5-trimethyl-
Regulation (EC) No 1831/2003 (amended)
Thiazole, trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
규제 정보
Regulatory Information
Chemical: Thiazole, 2,4,5-trimethyl-
Regulation (EC) No 1831/2003 (amended)
Thiazole, trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29339900
- risk_code
- 22-37/38-41-36/37/38
화학 및 산업
약리 정보
Cellular LocationsCytoplasm；Extracellular
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationThiazole, 2,4,5-trimethyl-: ACTIVE
응용 분야
출처Reported found in kohlrabi, French fried potato, boiled and cooked potato, fried chicken, raw chicken, boiled and cooked beef, grilled and roasted beef, lamb and mutton liver, boiled and cooked cured pork, coffee, black tea, coriander seed, katsuobushi (dried bonito), cooked shrimp and other natural sources.
용도2,4,5-Trimethylthiazole was employed as internal standard in the gas chromatographic determination of aldehydes in alcoholic beverages.
일반 설명2,4,5-Trimethylthiazole is a volatile oxidant and was isolated during microwave-induced L-cysteine/D-glucose Maillard model system.
제조 방법
By decarboxylation of 2,4-dimethylthiazole-5-acetic acid; by reacting acetamide and phosphorous pentasulfide with methyl-α-bromoethyl ketone.
상·하류 제품 정보
상류 원료
관련 반응
3건
화합물 노트
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