Dihydroactinidiolide, (+-)-
Basic information
- CAS
15356-74-8- Standard SMILES
CC1(C)CCCC2(C)OC(=O)C=C12- InChIKey
IMKHDCBNRDRUEB-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Overview
Dihydroactinidiolide is a member of benzofurans.
Names & identifiers
- Preferred name
- Dihydroactinidiolide, (+-)-
- IUPAC
- 4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one
- English name
- Dihydroactinidiolide
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranoneBH8469LVA9FEMA NO. 40205,6,7,7a-Tetrahydro-4,4,7a-trimethylbenzofuran-2(4H)-one(+-)-(2,6,6,-TRIMETHYL-2-HYDROXYCYCLOHEXYLIDENE)ACETIC ACID GAMMA-LACTONERefChem:587698Dihydroactinidiolide, (+-)-(+-)-(2,6,6,-TRIMETHYL-2-HYDROXYCYCLOHEXYLIDENE)ACETIC ACID .GAMMA.-LACTONE [FHFI]15356-74-84,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one17092-92-1(+/-)-dihydroactinidiolide
Show more names
(±)-DihydroactinidiolideDIHYDROACTINIDIODEDIHYDROACTINIDIOLIDE USP/EP/BP4,4,7a-Trimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)2,4,5,6,7,7a-Hexahydro-4,4,7a-trimethylbenzofuran-2-one4,4,7a-Trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-2-one5,8,7,7-Tetrahydro-4,4,7a-trimethyl-alpha-benzofuranone
Dihydroactinolide(2,6,6-Trimethyl-2-hydroxycyclohexylidene)acetic acid lactone2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-MFCD06409997( inverted exclamation markA)-Dihydroactinidiolide4,4,7a-Trimethyl-5,6,7,7a-tetrahydro-4H-Benzofuran-2-one4,5,7,7a-Tetrahydro-4,4,7a-trimethyl-2(6H)benzofuranoneDihydroactindiolide
Database identifiers
- CAS
15356-74-8、17092-92-1- PubChem CID
- 27209
- DTXSID
DTXSID00864588- ChEMBL
CHEMBL2271411- ChEBI
CHEBI:176780- UNII
- BH8469LVA9
- EC Number
- 239-390-4
- Nikkaji
- J99.559B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Tealactone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.051-1.058
Solubility
Insoluble in water; soluble in nonpolar solvents
soluble (in ethanol)
Boiling Point
295.00 to 296.00 °C. @ 760.00 mm Hg
90 °C
Refractive Index1.499-1.505
Physical DescriptionClear, colourless liquid; musky or coumarin-like aroma
Physicochemical properties
- Melting point
- 42 · 42-43°
- Boiling point
- 296 ℃ · 296℃
- Density
- 1.05 · 1.05
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
H300 (> 99.9%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1550 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-
2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 2 (> 99.9%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H300
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7a-trimethyl-: ACTIVE
Applications
OccurrenceReportedly present in lemongrass and sweet grass oil.
UsesDIHYDROACTINIDIOLIDE is widely used in tobacco flavorings, beverage and other food flavoring formulations, and pharmaceutical intermediates.
Preparation methods
PreparationPrepared in a patented process by degradation of beta-carotene in the presence of nitrogen and air.
Additional notes
DefinitionChEBI: Dihydroactinidiolide is a member of benzofurans.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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