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

名称と識別子

優先名称: 2,4,5-Trimethyloxazole
IUPAC: 2,4,5-trimethyl-1,3-oxazole
現地名: トリメチルオキサゾール
英語名: 2,4,5-Trimethyloxazole
分子式: C6H9NO
分子量: 111.14

名称と別名

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

名称をさらに表示

トリメチルオキサゾール2,4,5-トリメチルオキサゾールトリメチル-1,3-オキサゾールtrimethyl-oxazol2,3,5-TRIMETHYLOXAZOLE2,3,4-TRIMETHYLOXAZOLE2,4,5-Thrimethyloxazole

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.5
極性表面積: 26 Å²
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
形式電荷: 0
複雑度: 84

実験および物理化学的性質

Density0.956-0.964

Solubility · 2 件

Insoluble in water

Soluble (in ethanol)

Boiling Point · 2 件

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 · 3 件

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

物理化学的性質

沸点: 133 · 133-134 °C(lit.)
比重(密度): 0.957 g/mL · 0.957 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.442(lit.)
FEMA: 4394 · 4394 | TRIMETHYLOXAZOLE
闪点: 92 °F · 92 °F
貯蔵温度: 2 · Sealed in dry,2-8°C
外見: 液体
酸解離定数(Pka): 3.73 · 3.73±0.10(Predicted)
色: クリアイエロー
臭い (Odor): 100 %で。ナッツの皮のローストわさび貝のマスタード野菜 · 100.00%で。ナッツの皮のローストわさび貝のマスタード野菜
においのタイプ: ナッティ
由来生物: 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
CAS データベース: 20662 · 20662-84-4(CAS DataBase Reference)

化学的性質

化学的特性CLEAR YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

法規制情報

Regulatory Information · 3 件

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

安全データ

wgk: 2
ridadr: UN 1993 3/PG 3
hs_code: 29349990
risk_code: 10
化審法: (5)-3394
消防法: 危-4-2-III
hazard_code: F
safety_code: 16-33-29-3/7/9-24/25
hazard_class: 3
packing_group: III
Hazard Classifications: Flam. Liq. 3
ストレージクラス: 3 - Flammable liquids

化学と産業

薬理情報

Cellular LocationsCytoplasm；Extracellular

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 heated beef, cocoa, coffee and cooked pork.

一般的な説明2,4,5-Trimethyloxazole undergoes regio- and diastereoselective photocycloaddition reaction with aliphatic and aromatic aldehydes to yield erythro α-amino, β-hydroxy methyl ketones.