5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
Basic information
- CAS
16400-72-9- Standard SMILES
CCCCCCCC1CC=CC(=O)O1- InChIKey
XPTXKXKPWKNYKB-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Overview
6-Heptyl-5,6-dihydro-2H-pyran-2-one is a pyranone.
Names & identifiers
- Preferred name
- 5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
- IUPAC
- 2-heptyl-2,3-dihydropyran-6-one
- English name
- 5-Hydroxy-2-decenoic acid lactone
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
6-Heptyl-5,6-dihydro-2H-pyran-2-one16400-72-92-dodecen-5-olide2H-Pyran-2-one, 6-heptyl-5,6-dihydro-delta-2-Dodecenolactone5-Hydroxy-2-dodecenoic acid lactone6-Heptyl-5,6-dihydropyran-2-oneUNII-407E8N1CFC5-Heptyl-2-pentene-5-olide407E8N1CFC5-Hydroxy-2-dodecenoic acid delta-lactone6-Heptyl-5,6-dihydro-2-pyrone
Show more names
MASSOIA LACTONEFEMA 3747FEMA 37445-Hydroxy-2-decenoic acid lactone6-heptyl-5,6-dihydro-2h-pyran-2-on5-Hydroxy-4-dodecenoic acid δ-1actone5-HYDROXY-2-DECENOIC ACID LACTONE USP/EP/BP
EINECS 240-453-3FEMA NO. 3802DTXSID508646745-HYDROXY-2-DODECENOIC ACID LACTONE [FHFI]5-HYDROXY-2-DODECENOIC ACID .DELTA.-LACTONE5-HYDROXYDODEC-2-ENOIC ACID .DELTA.-LACTONE2-DODECENOIC ACID, 5-HYDROXY-, .DELTA.-LACTONERefChem:102753
Database identifiers
- CAS
16400-72-9- PubChem CID
- 61834
- DTXSID
DTXSID50864674- ChEBI
CHEBI:172051- UNII
- 407E8N1CFC
- EC Number
- 240-453-3
- Nikkaji
- J286.890C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.470-1.480
Flavoring AgentsEU Flavoring substances
Solubility
soluble in fat, ethanol, propylene glycol and triacetin
(in ethanol)
Boiling Point
315.00 to 317.00 °C. @ 760.00 mm Hg
115 °C (2 mmHg)
Refractive Index1.467-1.473
Physical Description
Liquid
clear, light yellow liquid
Physicochemical properties
- Boiling point
- 148 · 148-153 °C(Press: 9 Torr)
- Density
- 0.946 · 0.946±0.06 g/cm3(Predicted)
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
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2H-Pyran-2-one, 6-heptyl-5,6-dihydro-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2H-Pyran-2-one, 6-heptyl-5,6-dihydro-: ACTIVE
Applications
Uses5-HYDROXY-2-DECENOIC ACID LACTONE is used as food flavorings.
Preparation methods
PreparationFractionated from massoia bark oil obtained by steam distillation of bark
Additional notes
DefinitionChEBI: 6-Heptyl-5,6-dihydro-2H-pyran-2-one is a pyranone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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