4,6-ジメチル-2H-ピラン-2-オン

Mesitene lactone

HCID 12662CAS 675-09-2
部分構造検索類似構造を探す

基本情報

標準SMILES
Cc1cc(C)oc(=O)c1
InChIKey
IXYLIUKQQQXXON-UHFFFAOYSA-N
分子式
C7H8O2
平均分子量
124.14 g/mol
単同位体質量
124.05242949

名称と識別子

優先名称
Mesitene lactone
IUPAC
4,6-dimethylpyran-2-one
現地名
4,6-ジメチル-2H-ピラン-2-オン
英語名
4,6-Dimethyl-2-pyrone
分子式
C7H8O2
分子量
124.14

名称と別名

4,6-Dimethyl-2H-pyran-2-one4,6-Dimethyl-2-pyrone675-09-2Mesitene lactone4,6-dimethylpyran-2-one4,6-Dimethylcoumalin2H-PYRAN-2-ONE, 4,6-DIMETHYL-4,6-Dimethyl-alpha-pyrone2,4-Dimethyl-alpha-pyrone2,4-Dimethyl-.alpha.-pyrone4,6-Dimethyl-.alpha.-pyroneG2MA4KIQ1B
名称をさらに表示
4,6-ジメチル-2H-ピラン-2-オン4,6-ジメチル-2-ピロン4,6‐ジメチル‐2‐ピロンJTJ-1-5LEVISTAMEL4,6-dimethyl-α-pyrone4,6-Dimethyl-α-pyrone4,6-DIMETHYL-PYRAN-2-ONE
EINECS 211-618-7NSC 402790BRN 00024684,6-dimethyl-2-pyranoneNSC-402790Sorbic acid, 5-hydroxy-3-methyl-, .delta.-lactoneDTXSID60609735-17-09-00409 (Beilstein Handbook Reference)

データベース識別子

CAS
675-09-2
PubChem CID
12662
DTXSID
DTXSID6060973
ChEMBL
CHEMBL372284
UNII
G2MA4KIQ1B
EC Number
211-618-7
Nikkaji
J51.181A

物性

構造計算による物性

XLogP
1.1
極性表面積
26.3 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
9

実験および物理化学的性質

Kovats Retention Index1168.6

物理化学的性質

融点
48 · 48-50 °C (lit.)
沸点
170.92 °C · 170.92°C (rough estimate)
比重(密度)
1.0538 · 1.0538 (rough estimate)
屈折率
1.381 · 1.3810 (estimate)
闪点
230 °F · >230 °F
貯蔵温度
2 · Storage temp. 2-8°C

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 149 reports by companies from 1 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 InformationChemical: 2H-Pyran-2-one, 4,6-dimethyl-
Other Safety InformationIMAP assessments - 2H-Pyran-2-one, 4,6-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)

法規制情報

Regulatory InformationChemical: 2H-Pyran-2-one, 4,6-dimethyl-

安全データ

wgk
3
tsca
TSCA listed
rtecs
UQ0700000
hs_code
29322985
safety_code
24/25
ストレージクラス
11 - Combustible Solids

化学と産業

用途と製造

Use ClassificationFragrance Ingredients
General Manufacturing Information2H-Pyran-2-one, 4,6-dimethyl-: ACTIVE
応用分野 · 2 件

使用4,6-Dimethyl-α-pyrone (Me21) has been used in the preparation of G4C{Me21} via reacting with tetra-p-sulfocalix[4]arene (C) and guanidine hydrochloride (GCl). It may be used in the preparation of host-guest complex G4C{Me21} by reacting with crystalline guanidinium-sulfonate-calixarene (G4C). This complex on UV irradiation afforded 1,3-dimethylcyclobutadiene (Me2CBD).

一般的な説明4,6-Dimethyl-α-pyrone was immobilized in a guanidinium-sulfonate-calixarene (G4C) crystalline network, which upon exposure to ultraviolet irradiation, transforms the entrapped 4,6-dimethyl-α-pyrone into a 4,6-dimethyl-β-lactone. Thin solid films layers of 4,6-dimethyl-α-pyrone on UV irradiation at -190°C were investigated.

上流・下流製品情報

サプライヤー32 社

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

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