4,5-Dimethylthiazole (HCID 62510)

개요

4,5-Dimethylthiazole is a member of thiazoles.

이름 및 식별자

우선 이름: 4,5-Dimethylthiazole
IUPAC: 4,5-dimethyl-1,3-thiazole
현지명: 4,5-디메틸티아졸
영어명: 4,5-Dimethylthiazole
분자식: C5H7NS
분자량: 113.18

이름 및 동의어

4,5-DIMETHYLTHIAZOLE3581-91-74,5-Dimethyl-1,3-thiazoleThiazole, 4,5-dimethyl-4,5-dimethyl thiazoleFEMA No. 3274EINECS 222-703-3BRN 0105694U3RP5I088GDTXSID401893484-27-00-00986 (Beilstein Handbook Reference)4,5-DIMETHYL THIAZOLE [FHFI]

이름 더 보기

4,5-디메틸티아졸4,5-다이메틸싸이아졸FEMA 3274FEMA NUMBER 32744,5-dimethyl-thiazol4,5-Dimethylthiazole>4,5-Dimethylthiazole,98%4,5-Dimethylthiazole100g4,5-Dimethylthiazole ,99%

RefChem:507854DTXCID70111839222-703-34,5-dimethyl-thiazoleMFCD000053362,2-DimethylthiazoleSCHEMBL532644,5-Dimethylthiazole, 97%

데이터베이스 식별자

CAS: 3581-91-7
PubChem CID: 62510
DTXSID: DTXSID40189348
ChEBI: CHEBI:193947
UNII: U3RP5I088G
EC Number: 222-703-3
Nikkaji: J45.577F

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 41.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 65.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesDiamagnetic susceptibility

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.067-1.072

Flavoring AgentsEU Flavoring substances

Solubility · 2건

Soluble in ether

Miscible at room temperature (in ethanol)

Boiling Point · 2건

157.00 to 159.00 °C. @ 760.00 mm Hg

158 °C (742 mm Hg)

물리화학적 성질

녹는점: 83 · 83-84 C
끓는 점: 158 °C/742 · 158 °C/742 mmHg (lit.)
밀도: 1.07 g/mL · 1.07 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.521(lit.)
FEMA: 3274 · 3274 | 4,5-DIMETHYLTHIAZOLE
인화점: 124 °F · 124 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
산도 계수 (pKa): 1 · pK1:3.73 (25°C,μ=0.1)
Specific Gravity: 1.07 · 1.070
냄새: 0.1 % · 디프로필렌 글리콜 중 0.10%. 구운 열매가 많은 비린내 녹색 삶은 새우
냄새 유형: 비린내
생물학적 소스: synthetic
JECFA Number: 1035 · 1035
BRN: 105694 · 105694
주요 응용: 향료 및 향
InChI: 1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3
InChIKey: UWSONZCNXUSTKW-UHFFFAOYSA-N
SMILES: Cc1ncsc1C
LogP: 2.09 · 2.09
NIST: 4 · Thiazole, 4,5-dimethyl-(3581-91-7)

화학적 성질

4,5-Dimethylthiazole is a colorless to light yellow liquid that has a roasted nutty, meaty, boiled poultry-like odor.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (98.1%): 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 1451 reports by companies from 14 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Thiazole, 4,5-dimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Thiazole, 4,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (98.1%)

안전 데이터

wgk: 3
rtecs: XJ4380000
ridadr: UN 1993 3/PG 3
HS 번호: 29349990
risk_code: 10-22-37/38-41-36/37/38
hazard_code: Xn,Xi,F
safety_code: 16-26-39-37/39-36/37/39
포장분류: III
위험 등급: 3
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

응용 분야 · 3건

출처Reported found in peanuts, toasted oats, malt, peach, pork, coffee, krill, shrimp and scallops

용도4,5-Dimethylthiazole was used in the preparation of 4-(bromomethyl)-5-(dibromomethyl)thiazole.

일반 설명4,5-Dimethylthiazole is a thiazoles compounds that containing a thiazole ring substituted at positions 4 and 5 only. Radical bromination of 4,5-dimethylthiazole using N-bromosuccinimide in the presence of 2,2′-azobisisobutyronitrile yields mono-, tri- and tetrabromo compounds.

제조 방법

From methyl-α-bromoethyl ketone; by oxidation of 2-mercaptothiazoles with hydrogen peroxide in aqueous solution; from 2-mercapto-4,5-dimethylthiazole.