4-メチルジヒドロフラン-2(3H)-オン

beta-Methyl-gamma-butyrolactone

HCID 98451CAS 1679-49-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1COC(=O)C1
InChIKey: ALZLTHLQMAFAPA-UHFFFAOYSA-N
分子式: C5H8O2
平均分子量: 100.12 g/mol
単同位体質量: 100.05242949

名称と識別子

優先名称: beta-Methyl-gamma-butyrolactone
IUPAC: 4-methyloxolan-2-one
現地名: 4-メチルジヒドロフラン-2(3H)-オン
英語名: dihydro-4-methyl 2(3H)-furanone
分子式: C5H8O2
分子量: 100.12

名称と別名

1679-49-83-Methylbutyrolactone4-methyloxolan-2-oneDTXSID70862733RefChem:567910beta-methyl-gamma-butyrolactoneDTXCID60811457839-297-44-Methyldihydrofuran-2(3H)-oneDihydro-4-methyl 2(3H)-furanonedihydro-4-methyl-2(3H)-Furanone2(3H)-Furanone, dihydro-4-methyl-

名称をさらに表示

4-メチルオキソラン-2-オンテトラヒドロ-4-メチルフラン-2-オン4-メチル-4,5-ジヒドロフラン-2(3H)-オン4,5-ジヒドロ-4-メチル-2(3H)-フラノン4-メチル-4,5-ジヒドロ-2(3H)-フラノン4-メチルジヒドロフラン-2(3H)-オン4-メチルテトラヒドロフラン-2-オン4,5-ジヒドロ-4-メチルフラン-2(3H)-オン3-メチル-4-ヒドロキシブタン酸1,4-ラクトンTetrahydro-4-methylfuran-2-one4-methyltetrahydrofuran-2(3H)-one4-Methyl-4,5-dihydrofuran-2(3H)-one4-Methyl-4,5-dihydro-2(3H)-furanone

4-Methyltetrahydrofuran-2-one4-Methyldihydro-2(3H)-furanone3-Methyl-4-butanolide(S)-Dihydro-4-methylfuran-2(3H)-one3-MethylbutanolideNSC134770NSC 1347703-methyl-4-butyrolactone

データベース識別子

CAS: 1679-49-8、64190-48-3
PubChem CID: 98451
DTXSID: DTXSID70862733
ChEBI: CHEBI:173338
EC Number: 839-297-4
Nikkaji: J141.092J

物性

構造計算による物性

XLogP: 0.6
極性表面積: 26.3 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: 7
形式電荷: 0
複雑度: 88

実験および物理化学的性質

Physical DescriptionSolid

Kovats Retention Index913；914；916；910

物理化学的性質

沸点: 80 · 80-91 °C(Press: 10 Torr)
比重(密度): 1.04 · 1.040±0.06 g/cm3(Predicted)
貯蔵温度: Refrigerator
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 油
色: 無色
LogP: -0.27 · -0.270 (est)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 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

Hazard Classes and CategoriesFlam. Liq. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H227

化学と産業

応用分野

使用Dihydro-4-methyl-2(3H)-furanone (cas# 1679-49-8) was identified as an aroma contributing compound in a flavour profiling of Wild Harenna coffee beans.

サプライヤー16 社

艾吉析科技（上海）有限公司17717235263 · [email protected]

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]