delta-Decalactone
Basic information
- CAS
705-86-2- Standard SMILES
CCCCCC1CCCC(=O)O1- InChIKey
GHBSPIPJMLAMEP-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Overview
6-pentyloxan-2-one is a delta-lactone that is 5-valerolactone substituted by a pentyl group at position 6. It has a role as a metabolite. It is functionally related to a 5-valerolactone.
Names & identifiers
- Preferred name
- delta-Decalactone
- IUPAC
- 6-pentyloxan-2-one
- English name
- 5-Decanolide
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
DELTA-DECALACTONE705-86-26-Pentyltetrahydro-2H-pyran-2-one5-Decanolide6-pentyloxan-2-onedelta-Decanolactone5-Decalactone2H-Pyran-2-one, tetrahydro-6-pentyl-Decan-5-olidedelta-Decalactone (natural)FEMA No. 2361Tetrahydro-6-pentyl-2H-pyran-2-one
Show more names
δ-DecalactoneDecalactone DeltaD-DECALACTONEdelta-lactoneδ-DecanolactoneFEMA 2361
delta-Pentyl-delta-valerolactone.delta.-Decalactone5-Amyl-5-hydroxypentanoic acid lactoneDTXSID0044496.DELTA.-LACTONE-EINECS 211-889-1UNII-CNA0S5T234.delta.-Decanolide
Database identifiers
- CAS
705-86-2- PubChem CID
- 12810
- DTXSID
DTXSID0044496- ChEMBL
CHEMBL3182189- ChEBI
CHEBI:87327- UNII
- CNA0S5T234
- EC Number
- 211-889-1
- Nikkaji
- J35.391D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]
CosmeticsMasking
FragrancesFragrance Ingredient (delta-Decalactone) -> IFRA transparency List
Food Additives
FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Food
Density0.964-0.971
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
very soluble in alcohol and propylene glycol; insoluble in water
(in ethanol)
Boiling Point
117.00 to 120.00 °C. @ 0.02 mm Hg
281 °C
Melting Point-27.00 °C. @ 760.00 mm Hg
Refractive Index1.456-1.459
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 95.3% (1647 of 1728) of all reports.
Not Classified
Aggregated GHS information provided per 1728 reports by companies from 7 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2H-Pyran-2-one, tetrahydro-6-pentyl-
Regulation (EC) No 1831/2003 (amended)
2H-Pyran-2-one, tetrahydro-6-pentyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Pyran-2-one, tetrahydro-6-pentyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Decan-5-olide (EC: 211-889-1)
2H-Pyran-2-one, tetrahydro-6-pentyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UQ1355000
- hs_code
- 29322090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
U.S. Production2023: 7,000,000 - <8,500,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 14 consumer products that contain Delta-Decalactone in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Cosmetics -> Masking
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
2H-Pyran-2-one, tetrahydro-6-pentyl-: ACTIVE
Applications
OccurrenceReported found in rum, coconut, raspberry, apricot, bilberry, peach, strawberry, Swiss cheese, other cheeses, butter, milk, milk powder, mutton fat, mango and nectarine.
UsesUsed in pharmaceutical preparations, feed additive, flavorings agent. Also used by food and flavor industries for its coconut fragrance and taste. It is also used as a reagent in the synthesis of (±)-Massoilactone (M197600); a chemical component with antibacterial activity found in volatile oils.
General DescriptionMeasurement of optical rotatory dispersion and circular dichroism of (+) 5-decanolide (tetrahydro-6-pentyl-2H-pyran-2-one) has been reported.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…