Basic information
- CAS
5579-78-2- Standard SMILES
CCCCC1CCCCC(=O)O1- InChIKey
YKVIWISPFDZYOW-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Overview
6-Decanolide is a lactone.
Names & identifiers
- Preferred name
- epsilon-DECALACTONE
- IUPAC
- 7-butyloxepan-2-one
- English name
- 7-BUTYL-2-OXEPANONE
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
7-Butyloxepan-2-oneEpsilon-decalactone5579-78-26-Butylhexanolide2-OXEPANONE, 7-BUTYL-FEMA No. 36136-Hydroxydecanoic acid epsilon-lactoneDTXSID8047551662W32KL4ODTXCID6027551RefChem:590999226-963-9
Show more names
7-Butyloxepan-2-on7-butyl-2-oxepanonEPSILON-DECANOLACTONEEPSILON-DECALACTONE 99+%7-BUTYL-2-OXEPANONE USP/EP/BP
7-Butyl-2-oxepanonee-decalactone6-decanolideEINECS 226-963-9UNII-662W32KL4OBRN 0117541.epsilon.-DecalactoneFEMA 3613
Database identifiers
- CAS
5579-78-2- PubChem CID
- 62583
- DTXSID
DTXSID8047551- ChEMBL
CHEMBL3185668- ChEBI
CHEBI:180234- UNII
- 662W32KL4O
- EC Number
- 226-963-9
- Nikkaji
- J78.703E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.976
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point117 °C (3 mmHg)
Refractive Index1.458-1.463
Physical Descriptioncolourless to pale yellow liquid
Physicochemical properties
- Boiling point
- 117 °C3 · 117 °C3 mm Hg(lit.)
- Density
- 0.976 g/mL · 0.976 g/mL at 25 °C(lit.)
- FEMA
- 3613 · 3613 | EPSILON-DECALACTONE
- refractive index
- 20 · n20/D 1.461(lit.)
- FLAVIS Number
- 10.029 · 10.029 | Decano-1,6-lactone
- Flash point
- 230 °F · >230 °F
- Specific Gravity
- 0.98 · 0.98
- Odor
- sweet creamy tonka
- Odor Type
- coumarinic
- biological source
- synthetic
- JECFA Number
- 241 · 241
- Major Application
- flavors and fragrances
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C10H18O2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3
- InChIKey
- YKVIWISPFDZYOW-UHFFFAOYSA-N
- SMILES
- CCCCC1CCCCC(=O)O1
- LogP
- 2.45 · 2.45
- Substances Added to Food (formerly EAFUS)
- EPSILON-DECALACTONE
- FDA UNII
- 662 W32KL4O · 662W32KL4O
- EPA Substance Registry System
- 2 · 2-Oxepanone, 7-butyl- (5579-78-2)
- UNSPSC Code
- 12164502 · 12164502
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 2 · 2
- RTECS
- 6670000 · RQ6670000
- TSCA
- TSCA listed
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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 57.1% (89 of 156) of all reports.
Warning
H315 (42.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 156 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Oxepanone, 7-butyl-
2-Oxepanone, 7-butyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Oxepanone, 7-butyl-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (42.9%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- RQ6670000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Oxepanone, 7-butyl-: ACTIVE
Applications
Usesflavors and fragrances
Upstream & downstream products
Upstream raw materials
Suppliers14 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
BOC Sciences[email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Additional notes
DefinitionChEBI: 6-Decanolide is a lactone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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