Delta-Valerolactone
Basic information
- CAS
26354-94-9- Standard SMILES
O=C1CCCCO1- InChIKey
OZJPLYNZGCXSJM-UHFFFAOYSA-N- Molecular formula
- C5H8O2
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.05242949
Overview
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.
Names & identifiers
- Preferred name
- Delta-Valerolactone
- IUPAC
- oxan-2-one
- English name
- oxan-2-one
- Molecular formula
- C5H8O2
- Molecular weight
- 0
Names & synonyms
delta-Valerolactone542-28-9TETRAHYDRO-2H-PYRAN-2-ONE5-Valerolactone2H-Pyran-2-one, tetrahydro-DTXSID6044438NSC-624714V1X9149LDTXCID4024438CHEBI:16545RefChem:585696208-807-1
Show more names
oxan-2-onetetrahydropyran-2-oneTetrahydro-2-pyranonedelta-ValeryllactoneValerolactonePenta-1,5-lactone1-Oxacyclohexan-2-one26354-94-9
Database identifiers
- 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
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 78.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP-0.35
Flavoring AgentsEU Flavoring substances
Physical DescriptionCBI; Liquid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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%)
Chemistry & industry
Uses & manufacturing
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
Additional notes
DefinitionChEBI: 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.
Related reactions
84 records
Compound notes
Loading…