Basic information
- CAS
142285-19-6- Standard SMILES
CCCCCCC1CCCCC(=O)O1- InChIKey
FRTMRFCNTDDSOB-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Overview
7-Hexyl-2-oxepanone is a lactone.
Names & identifiers
- Preferred name
- epsilon-Dodecalactone
- IUPAC
- 7-hexyloxepan-2-one
- English name
- delta-Dodecanolactone
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
7-Hexyloxepan-2-oneepsilon-Dodecalactone16429-21-32-Oxepanone, 7-hexyl-7-Hexyl-2-oxepanone6-HexylhexanolideFEMA No. 3610epsilon-Hydroxydodecanoic acid lactone6-Hydroxydodecanoic acid epsilon-lactone.epsilon.-DodecalactoneEINECS 240-483-7UNII-Y9M87BIY21
Show more names
FEMA 2401DODECANOLACTONED-DODECALACTONEDELTA-LAUROLACTONE7-hexyl-2-oxepanonDODECALACTONE, DELTA-
Dodecanoic acid, 6-hydroxy-, epsilon-lactoneBRN 4389436Y9M87BIY216-Hexylhexan-6-olideDTXSID10864675.EPSILON.-DODECALACTONE [FHFI]EPSILON-HEXYL-EPSILON-CAPROLACTONEDodecanoic acid, 6-hydroxy-, epsilon-lactone (6CI,7CI)
Database identifiers
- CAS
142285-19-6、16429-21-3- PubChem CID
- 61835
- DTXSID
DTXSID10864675- ChEBI
CHEBI:171843- UNII
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Experimental & physicochemical properties
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.950- 0.958
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; miscible with fats
(in ethanol)
Boiling Point150 °C (2 mmHg)
Refractive Index1.459-1.463
Physical Descriptioncolourless liquid with a sweet, fruity, peach odour
Physicochemical properties
- Melting point
- 12 °C · −12 °C(lit.)
- Boiling point
- 140 · 140-141 °C1 mm Hg(lit.)
- Density
- 0.942 g/mL · 0.942 g/mL at 25 °C(lit.)
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% (90 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Oxepanone, 7-hexyl-
2-Oxepanone, 7-hexyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 2
- rtecs
- UQ0850000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
UsesDELTA-DODECANOLACTONE is used as food flavorings.
Suppliers11 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
BOC Sciences[email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
海蔚化学86-21-51086038 · [email protected]
湖北美索伦科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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