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γ−フェニル−γ−ブチル 分子構造
γ−フェニル−γ−ブチル 分子構造

γ−フェニル−γ−ブチル

IUPAC名称:5-phenyloxolan-2-one
CAS登録番号: 1008-76-0
分子:162.1852
1. 名前と識別子
1.1 商品名
γ−フェニル−γ−ブチル
1.2 シノニム

(±)-γ-Phenyl-γ-butyrolactone (RS)-γ-Phenyl-γ-butyrolactone 2(3H)-Furanone, dihydro-5-phenyl- 2,3-Dihydro-5-phenyl-2-furanone 4,5-Dihydro-5-phenyl-2(3H)-furanone 4-Phenyl-4-butanolide 4-Phenyl-4-hydroxybutanoic acid lactone 4-Phenylbutanolide 4-Phenyl-γ-butyrolactone 5-Phenyldihydrofuran-2(3H)-one 5-Phenyltetrahydrofuran-2-one Butyric acid, 4-hydroxy-4-phenyl-, γ-lactone Dihydro-5-phenyl-2(3H)furanone Dihydro-5-phenyl-2(3H)-furanone Dihydro-5-phenyl-2-furanone NSC 24259 NSC 48048 γ-Phenylbutyrolactone γ-Phenyl-γ-butanolide γ-Phenyl-γ-butyrolactone

すべてを表示
1.3 CAS登録番号
1008-76-0
1.4 CID
13884
1.5 EINECS番号
213-761-0
1.6 分子式
C10H10O2 (isomer)
1.7 Inchi
InChI=1S/C10H10O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
1.8 InchiKey
AEUULUMEYIPECD-UHFFFAOYSA-N
1.9 標準的な SMILES
C1CC(=O)OC1C2=CC=CC=C2
1.10 異性体 SMILES
C1CC(=O)OC1C2=CC=CC=C2
2. 性質
2.1 密度
1.15
2.2 融点
36-37℃
2.3 沸騰点
306℃
2.4 屈折率
1.5415-1.5435
2.5 よび点
135.5°C
2.6 PSA
26.30000
2.7 logP
2.06470
3. セキュリティと処理
3.1 WGKドイツ
3
3.2 RTECS
LU3690000
4. MSDS情報

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. NMR スペクトル
6. 計算化学データ
  • 分子: 162.1852g/mol
  • 分子式: C10H10O2
  • Compound Is Canonicalized: True
  • XLogP3-AA: 1.7
  • Exact Mass: 162.068079557
  • Monoisotopic Mass: 162.068079557
  • Complexity: 171
  • Rotatable Bond Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Topological Polar Surface Area: 26.3
  • Heavy Atom Count: 12
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABAAAAGgAAAAAADBSgmAIwCIAABACIAiDSCAACAAAgAAAIiAEACIgIJjKAMRiCMAAkwAEIqAeKyLCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. 推奨ベンダー
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GAMMA-PHENYL-GAMMA-BUTYROLACTONE
  • Purity:99%Packing: 200kg/bag FOB
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GAMMA-PHENYL-GAMMA-BUTYROLACTONE
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8. 実際の製品情報