2,4,5-三甲基-3-唑啉

2,4,5-Trimethyl-3-oxazoline

HCID 31492CAS 22694-96-8
子结构检索查找相似结构

基本信息

标准SMILES
CC1=NC(C)OC1C
InChIKey
YFSGRMONVCFYTC-UHFFFAOYSA-N
分子式
C6H11NO
平均分子量
113.16 g/mol
单同位素质量
113.08406397

概述

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

名称与标识

首选名称
2,4,5-Trimethyl-3-oxazoline
IUPAC
2,4,5-trimethyl-2,5-dihydro-1,3-oxazole
中文名
2,4,5-三甲基-3-唑啉
英文名
2,4,5-Trimethyl-3-oxazoline
分子式
C6H11NO
分子量
113.16

名称与别名

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
展开更多名称
2.4.5-三甲基恶唑啉2,4,5-甲基-3-噁唑啉2,4,5-三甲基-3-唑啉2,4,5-三甲基-3-恶唑啉2,4,5-甲基-Δ-3-噁唑啉2,4,5-三甲基-3-唑啉(询价)2,4,5-三甲基-2,5-二氢恶唑2,4,5-三甲基-2,5-二氢噁唑2,4,5-三甲基-3-唑啉,顺式+反式2,4,5-三甲基-3-唑啉, CIS + TRANSFEMA 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

数据库标识

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

性质

结构计算性质

XLogP
0.5
极性表面积
21.6 Ų
氢键供体
0
氢键受体
2
可旋转键
0
重原子
8

实验与物化性质

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

slightly

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

Soluble (in ethanol)

Boiling Point · 2 条

125.00 to 127.00 °C. @ 760.00 mm Hg

96-97 °C

Refractive Index1.413-1.421

物理化学性质

沸点
45 · 45-47°C 12mm
密度
0 · 0,919 g/cm3
FEMA
3525 · 3525 | 2,4,5-TRIMETHYL-DELTA-3-OXAZOLINE
RTECS号
5665000 · RQ5665000
闪点
45 · 45-47°C/12mm
形态
liquid

化学性质

橘黄色液体，呈强烈的葡萄汁、青草、蔬菜、霉香、烤香、焦糖、木材和坚果香味。溶于乙醇、丙二醇和水，不溶于非挥发性油。

安全与法规

GHS分类

GHS Classification · 4 条

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.

危害信息

Regulatory Information · 2 条

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%)

安全数据

wgk
WGK 3
毒性
mouse,LD50,oral,4840mg/kg (4840mg/kg),Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
包装类别
III
危险等级
3
存储类别
10 - Combustible liquids
安全说明
3/7-9-16-29-33-37/60-26

毒性防护

毒性GRAS(FEMA)。

化学与工业

药理信息

Cellular LocationsCytoplasm

用途与制造

Use Classification · 2 条

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

应用领域

用途GB 2760--1996规定可允许用于食品香料。主要用以制备坚果、可可、咖啡、肉、面包、焦糖和浆果类香精。

制备方法

生产方法用醋锚和乙醛在氢氧化铵存在下反应而得。

上下游产品信息

上游原料

试剂价格

B22228 · 5g
2,4,5-三甲基-3-唑啉,顺式+反式, 99%2,4,5-Trimethyl-3-oxazoline, cis + trans, 99% — 301元
B22228 · 100g
2,4,5-三甲基-3-唑啉,顺式+反式, 99%2,4,5-Trimethyl-3-oxazoline, cis + trans, 99% — 2079元

供应商48 家

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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