Basic information
- CAS
21963-26-8- Standard SMILES
CCCCCC1C=CC(=O)O1- InChIKey
MXZSZHJBUODOJK-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Overview
2-nonen-4-olide is a butenolide.
Names & identifiers
- Preferred name
- 2-Nonenoic acid gamma-lactone
- IUPAC
- 2-pentyl-2H-furan-5-one
- English name
- 5-pentylfuran-2(5H)-one
- Molecular formula
- C9H14O2
- Molecular weight
- 154.21
Names & synonyms
21963-26-85-Pentyl-2(5H)-furanone2-nonenoic acid gamma-lactone2-pentyl-2H-furan-5-one5-Pentylfuran-2(5H)-one2(5H)-Furanone, 5-pentyl-2-nonenoic acid .gamma.-lactoneOZ464RW03R4-HYDROXY-2-NONENOIC ACID LACTONEFEMA NO. 4188DTXSID70865022EINECS 244-685-6
Show more names
2-nonen-4-olide5-pentyl-5H-furan-2-one2-NONENOICACIDGAMMALACTONE5-Pentyl-2,5-dihydrofuran-2-one
5-N-PENTYL-2(5H)-FURANONE2-NONENOIC ACID, 4-HYDROXY-, .GAMMA.-LACTONE5-Pentyl-2-furanoneRefChem:477258DTXCID208134772-Nonenoic acid, 4-hydroxy-, gammalactone(+-)-2-NONENOIC ACID GAMMA-LACTONE(+-)-2-NONENOIC ACID .GAMMA.-LACTONE
Database identifiers
- CAS
21963-26-8- PubChem CID
- 89559
- DTXSID
DTXSID70865022- ChEBI
CHEBI:180440- UNII
- OZ464RW03R
- EC Number
- 244-685-6
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]
FragrancesFragrance Ingredient (2-Nonenoic acid gamma-lactone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.982-0.986
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in non-polar solvents; insoluble in water
Soluble (in ethanol)
Boiling Point230-233 °C
Refractive Index1.457-1.463
Physical DescriptionColourless liquid; Minty fruit-like aroma
Physicochemical properties
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 99.1% (114 of 115) of all reports.
Not Classified
Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Suppliers10 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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