2,4,5-Trimethyl-3-oxazoline

HCID 31492CAS 22694-96-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC1=NC(C)OC1C
InChIKey
YFSGRMONVCFYTC-UHFFFAOYSA-N
분자식
C6H11NO
평균 분자량
113.16 g/mol
단동위원소 질량
113.08406397

개요

2,5-Dihydro-2,4,5-trimethyloxazole is an oxazole.

이름 및 식별자

우선 이름
2,4,5-Trimethyl-3-oxazoline
IUPAC
2,4,5-trimethyl-2,5-dihydro-1,3-oxazole
영어명
2,4,5-Trimethyl-3-oxazoline
분자식
C6H11NO
분자량
113.16

이름 및 동의어

2,4,5-TRIMETHYL-3-OXAZOLINE22694-96-82,5-Dihydro-2,4,5-trimethyloxazoleFEMA No. 35253-Oxazoline, 2,4,5-trimethyl-Oxazole, 2,5-dihydro-2,4,5-trimethyl-peanut oxazoleDTXSID8047133BRN 1098973UNII-KHQ1Z14L8P2,4,5-trimethyl-delta-3-oxazolineKHQ1Z14L8P
이름 더 보기
FEMA 3525UNII:KHQ1Z14L8P2,4,5-TRIMETHYLOXAZOLINETrimethyloxazolinecistrans2,4,5-trimethyl-3-oxazolin2,4,5-TRIMETHYL-3-OXAZOLINE,98%2,4,5-Trimethyl-gamma-3-oxazoline
Oxazole, 2,5-dihydro-2,4,5-trimethl-DTXCID60271332,4,5-TRIMETHYL DELTA-3-OXAZOLINE2,4,5-TRIMETHYL-.DELTA.-3-OXAZOLINE2,4,5-TRIMETHYL DELTA-3-OXAZOLINE [FCC]2,4,5-TRIMETHYL-.DELTA.-3-OXAZOLINE [FHFI]RefChem:82044(+-)-2,4,5-TRIMETHYL-3-OXAZOLINE

데이터베이스 식별자

CAS
22694-96-8
PubChem CID
31492
DTXSID
DTXSID8047133
ChEMBL
CHEMBL3188899
ChEBI
CHEBI:173328
UNII
KHQ1Z14L8P
EC Number
607-131-8、928-459-0
Nikkaji
J77.253D

물성

구조 계산 물성

XLogP
0.5
극성 표면적
21.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
8

실험 및 물리화학적 성질

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.913-0.920
Flavoring AgentsEU Flavoring substances
Solubility · 3건

slightly

Soluble in water, propylene glycol; insoluble in most fixed oils

Soluble (in ethanol)

Boiling Point · 2건

125.00 to 127.00 °C. @ 760.00 mm Hg

96-97 °C

Refractive Index1.413-1.421

물리화학적 성질

끓는 점
45 · 45-47°C 12mm
밀도
0 · 0,919 g/cm3
FEMA
3525 · 3525 | 2,4,5-TRIMETHYL-DELTA-3-OXAZOLINE
인화점
45 · 45-47°C/12mm
산도 계수 (pKa)
6.27 · 6.27±0.60(Predicted)
물리적 상태
liquid

화학적 성질

Yellow-orange liquid; powerful, musty, nut-like odor. Soluble in alc, propylene glycol,water; insoluble in fixed oils.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.3%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 1445 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Oxazole, 2,5-dihydro-2,4,5-trimethyl-

Oxazole, 2,5-dihydro-2,4,5-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (97.3%)

안전 데이터

wgk
WGK 3
ridadr
1993
독성
mouse,LD50,oral,4840mg/kg (4840mg/kg),Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
risk_code
11-36/37/38-10
hazard_code
Xi
safety_code
3/7-9-16-29-33-37/60-26

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

출처Reported found in boiled, cooked and heated beef, canned beef stew, fried chicken and roasted peanut.

용도2,4,5-Trimethyl-3-oxazoline, cis + trans possesses the characteristic meat aroma hences used for flavoring application. Used as flavour enhancer in fish

상·하류 제품 정보

상류 원료

공급사48 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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