Basic information
- CAS
40923-64-6- Standard SMILES
CCCCCCCC1CC(C)OC1=O- InChIKey
ZFKUTGNRVJOCIO-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Overview
3-Heptyldihydro-5-methyl-2(3H)-furanone is a gamma-lactone.
Names & identifiers
- Preferred name
- 3-Heptyldihydro-5-methyl-2(3H)-furanone
- IUPAC
- 3-heptyl-5-methyloxolan-2-one
- English name
- 3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
3-Heptyldihydro-5-methyl-2(3H)-furanone3-heptyl-5-methyloxolan-2-oneFEMA No. 33503-Heptyldihydro-5-methylfuran-2(3H)-one2(3H)-Furanone, 3-heptyldihydro-5-methyl-alpha-Heptyl-gamma-valerolactoneUNII-B5Z5UJR56ZB5Z5UJR56ZEINECS 255-141-2DTXSID80866025.ALPHA.-HEPTYL-.GAMMA.-VALEROLACTONE3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE [FHFI]
Show more names
3-Heptyl-5-methyl-4,5-dihydro-2(3H)-furanone3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE USP/EP/BP
RefChem:94019DTXCID60814367(+-)-3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE40923-64-6SCHEMBL3504590FEMA 3350CHEBI:171832AKOS006279437
Database identifiers
- CAS
40923-64-6- PubChem CID
- 61990
- DTXSID
DTXSID80866025- ChEBI
CHEBI:171832- UNII
Properties
Computed structural properties
- XLogP
- 4.3
- 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
- 177
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.935-0.942
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point
170.00 °C. @ 17.00 mm Hg
170 °C (17 mm Hg)
Refractive Index1.443-1.450
Physical Descriptionclear, colourless liquid
Physicochemical properties
- Boiling point
- 290 ℃ · 290℃
- Density
- 0.916 · 0.916
- FLAVIS Number
- 10.026 · 10.026 | 3-Heptyldihydro-5-methyl-2(3H)-furanone
- FEMA
- 3350 · 3350 | 3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE
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 6.4% (88 of 1374) of reports.
Warning
H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1374 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2(3H)-Furanone, 3-heptyldihydro-5-methyl-
2(3H)-Furanone, 3-heptyldihydro-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (93.6%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2(3H)-Furanone, 3-heptyldihydro-5-methyl-: ACTIVE
Applications
DescriptionHeptyl formate has a fruity-floral odor with an orris-rose undertone and a sweet taste reminiscent of plum. May be synthesized from n-heptyl bromide and formamide at the boil.
Uses3-Heptyldihydro-5-methyl-2(3H)-furanone is used in the methods and compositions for modifying sensorial perception associated with transient sensory receptors TRPA1, TRPV1, and TRPA1V1.
Suppliers4 total
杭州贵驰科技有限公司(+86 571) 2818 0696
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
BOC Sciences[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 3-Heptyldihydro-5-methyl-2(3H)-furanone is a gamma-lactone.
Related reactions
1 records
Compound notes
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