CAS 20662-84-4 2,4,5-Trimethyloxazole (HCID 30215)

이름 및 식별자

우선 이름: 2,4,5-Trimethyloxazole
IUPAC: 2,4,5-trimethyl-1,3-oxazole
현지명: 2,4,5-트리메틸옥사졸
영어명: 2,4,5-Trimethyloxazole
분자식: C6H9NO
분자량: 111.14

이름 및 동의어

2,4,5-TRIMETHYLOXAZOLE20662-84-4TrimethyloxazoleOxazole, trimethyl-2,4,5-Trimethyl-1,3-oxazoleOxazole, 2,4,5-trimethyl-trimethyl-1,3-oxazoleEINECS 243-952-4B04PF51WXITRIMETHYLOXAZOLE [FHFI]DTXSID0022274FEMA NO. 4394

이름 더 보기

2,4,5-트리메틸옥사졸trimethyl-oxazol2,3,5-TRIMETHYLOXAZOLE2,3,4-TRIMETHYLOXAZOLE2,4,5-Thrimethyloxazole

RefChem:442800DTXCID302274FEMA 4394243-952-4MFCD00005308Oxazole, 2,4,5-trimethyl2,4,5-Trimethyl oxazoleUNII-B04PF51WXI

데이터베이스 식별자

CAS: 20662-84-4
PubChem CID: 30215
DTXSID: DTXSID0022274
ChEBI: CHEBI:179309
UNII: B04PF51WXI
EC Number: 243-952-4
Nikkaji: J40.167F

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 26 Å²
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

Density0.956-0.964

Solubility · 2건

Insoluble in water

Soluble (in ethanol)

Boiling Point · 2건

133.00 to 134.00 °C. @ 760.00 mm Hg

134 °C

Refractive Index1.438-1.446

Physical DescriptionYellowish liquid; Boiled beef aroma

Kovats Retention Index · 3건

829；828；826；830；843；843；843；843；829；822；823；827；824

848；852；850；853；846；851；863；857；847；855；856.6；838.8

1188；1193；1193；1197；1193；1224；1190；1188；1215；1200；1200；1206；1200；1200；1209；1209；1179；1200；1204；1214

물리화학적 성질

끓는 점: 133 · 133-134 °C(lit.)
밀도: 0.957 g/mL · 0.957 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.442(lit.)
FEMA: 4394 · 4394 | TRIMETHYLOXAZOLE
인화점: 92 °F · 92 °F
저장 조건: 2 · Sealed in dry,2-8°C
물리적 상태: 액체
산도 계수 (pKa): 3.73 · 3.73±0.10(Predicted)
색상: 맑은 노란색
냄새: 100 %에서 · 100.00%에서. 고소한 견과류 껍질 구운 와사비 조개 겨자 야채
냄새 유형: 견과류
생물학적 소스: synthetic
JECFA Number: 1553 · 1553
BRN: 107043 · 107043
InChI: 1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3
InChIKey: ZRLDBDZSLLGDOX-UHFFFAOYSA-N
SMILES: Cc1nc(C)c(C)o1
LogP: 1.09 · 1.09

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (71.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (74.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (74.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 163 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 · 3건

Chemical: Oxazole, trimethyl-

Regulation (EC) No 1831/2003 (amended)

Oxazole, trimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Oxazole, trimethyl-: Environment tier I assessment

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (71.8%)；Eye Irrit. 2 (74.2%)；STOT SE 3 (74.2%)

규제 정보

Regulatory Information · 3건

Chemical: Oxazole, trimethyl-

Regulation (EC) No 1831/2003 (amended)

Oxazole, trimethyl-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 2
ridadr: UN 1993 3/PG 3
HS 번호: 29349990
risk_code: 10
hazard_code: F
safety_code: 16-33-29-3/7/9-24/25
포장분류: III
위험 등급: 3
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

응용 분야

출처Reported found in heated beef, cocoa, coffee and cooked pork.

일반 설명2,4,5-Trimethyloxazole undergoes regio- and diastereoselective photocycloaddition reaction with aliphatic and aromatic aldehydes to yield erythro α-amino, β-hydroxy methyl ketones.