2,4,5-トリメチル-3-オキサゾリン

2,4,5-Trimethyl-3-oxazoline

HCID 31492CAS 22694-96-8
部分構造検索類似構造を探す

基本情報

標準SMILES
CC1=NC(C)OC1C
InChIKey
YFSGRMONVCFYTC-UHFFFAOYSA-N
分子式
C6H11NO
平均分子量
113.16 g/mol
単同位体質量
113.08406397

概要

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

名称と識別子

優先名称
2,4,5-Trimethyl-3-oxazoline
IUPAC
2,4,5-trimethyl-2,5-dihydro-1,3-oxazole
現地名
2,4,5-トリメチル-3-オキサゾリン
英語名
2,4,5-Trimethyl-3-oxazoline
分子式
C6H11NO
分子量
113.16

名称と別名

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
名称をさらに表示
2,4,5-トリメチル-3-オキサゾリン2,4,5-トリメチル-3-オキサゾリン(CIS-, TRANS-混合物)2,4,5-トリメチル-2,5-ジヒドロオキサゾール2,4,5-トリメチル-2,5-ジヒドロ-1,3-オキサゾール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

データベース識別子

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

物性

構造計算による物性

XLogP
0.5
極性表面積
21.6 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
0
重原子数
8

実験および物理化学的性質

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

slightly

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

Soluble (in ethanol)

Boiling Point · 2 件

125.00 to 127.00 °C. @ 760.00 mm Hg

96-97 °C

Refractive Index1.413-1.421

物理化学的性質

沸点
45 · 45-47°C 12mm
比重(密度)
0 · 0,919 g/cm3
FEMA
3525 · 3525 | 2,4,5-TRIMETHYL-DELTA-3-OXAZOLINE
闪点
45 · 45-47°C/12mm
酸解離定数(Pka)
6.27 · 6.27±0.60(Predicted)
外見
liquid

化学的性質

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

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

安全データ

wgk
WGK 3
ridadr
1993
毒性
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

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Use Classification · 2 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

応用分野

天然物の起源Reported found in boiled, cooked and heated beef, canned beef stew, fried chicken and roasted peanut.

使用2,4,5-Trimethyl-3-oxazoline, cis + trans possesses the characteristic meat aroma hences used for flavoring application. Used as flavour enhancer in fish

上流・下流製品情報

上流原料

サプライヤー48 社

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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