Delta-Valerolactone
基本情報
- CAS
26354-94-9- 標準SMILES
O=C1CCCCO1- InChIKey
OZJPLYNZGCXSJM-UHFFFAOYSA-N- 分子式
- C5H8O2
- 平均分子量
- 100.12 g/mol
- 単同位体質量
- 100.05242949
概要
5-valerolactone is the simplest member of the class of delta-lactone that is tetrahydro-2H-pyran substituted by an oxo group at position 2. It derives from a hydride of an oxane.
名称と識別子
- 優先名称
- Delta-Valerolactone
- IUPAC
- oxan-2-one
- 英語名
- oxan-2-one
- 分子式
- C5H8O2
- 分子量
- 0
名称と別名
delta-Valerolactone542-28-9TETRAHYDRO-2H-PYRAN-2-ONE5-Valerolactone2H-Pyran-2-one, tetrahydro-DTXSID6044438NSC-624714V1X9149LDTXCID4024438CHEBI:16545RefChem:585696208-807-1
名称をさらに表示
oxan-2-onetetrahydropyran-2-oneTetrahydro-2-pyranonedelta-ValeryllactoneValerolactonePenta-1,5-lactone1-Oxacyclohexan-2-one26354-94-9
データベース識別子
- CAS
26354-94-9、542-28-9- PubChem CID
- 10953
- DTXSID
DTXSID6044438- ChEMBL
CHEMBL452383- ChEBI
CHEBI:16545- UNII
- 14V1X9149L
- EC Number
- 208-807-1
- Nikkaji
- J6.398C
物性
構造計算による物性
- XLogP
- -0.3
- 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
- 7
- 形式電荷
- 0
- 複雑度
- 78.1
実験および物理化学的性質
SpringerMaterials PropertiesBoiling point
LogP-0.35
Flavoring AgentsEU Flavoring substances
Physical DescriptionCBI; Liquid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H318 (99.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 683 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 2H-Pyran-2-one, tetrahydro-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2H-Pyran-2-one, tetrahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Pyran-2-one, tetrahydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: δ-valerolactone (EC: 208-807-1)
Tetrahydro-2H-pyran-2-one: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Dam. 1 (99.4%)
化学と産業
用途と製造
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesProcessing aids not otherwise specified
Industry UsesDispersing agent
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2H-Pyran-2-one, tetrahydro-: ACTIVE
関連反応
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化合物ノート
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