1,6-Dioxacycloheptadecan-7-one
Basic information
- CAS
6707-60-4- Standard SMILES
O=C1CCCCCCCCCCOCCCCO1- InChIKey
MRMOPGVGWFNHIN-UHFFFAOYSA-N- Molecular formula
- C15H28O3
- Average molar mass
- 256.38 g/mol
- Monoisotopic mass
- 256.20384475
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,6-Dioxacycloheptadecan-7-one
- IUPAC
- 1,6-dioxacycloheptadecan-7-one
- English name
- 1,6-Dioxacycloheptadecan-7-one
- Molecular formula
- C15H28O3
- Molecular weight
- 256.38
Names & synonyms
1,6-Dioxacycloheptadecan-7-one6707-60-412-OxahexadecanolideCervolide12-Oxa-1,16-hexadecanolideG6U2GR91JIDTXSID4047705Undecanoic acid, 11-(4-hydroxybutoxy)-, omicron-lactoneNSC-34741DTXCID2027703RefChem:78283229-755-6
Show more names
musk decanolideMUSK 78112-Oxahexadecan-16-olid1,6-Dioxacycloheptadecan-7-on
Hibiscolide12-Oxahexadecan-16-olideUNII-G6U2GR91JIEINECS 229-755-6NSC 34741BRN 01588021,6-DIOXACYCLOHEPTADECAN-17-ONENSC34741
Database identifiers
- CAS
6707-60-4- PubChem CID
- 23173
- DTXSID
DTXSID4047705- ChEMBL
CHEMBL3186263- UNII
- G6U2GR91JI
- EC Number
- 229-755-6
- Nikkaji
- J76.223G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (12-Oxahexadecanolide) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 339.62 °C · 339.62°C (rough estimate)
- Density
- 0.98 · 0.98
- vapor pressure
- 0.035 · 0.035-0.058Pa at 20-25℃
- refractive index
- 1.466 · 1.466
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- Odor
- characterisitc odor
- Odor Type
- musk
- Dielectric constant
- 5.3 · 5.3(60.0℃)
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- InChI=1S/C15H28O3/c16-15-11-7-5-3-1-2-4-6-8-12-17-13-9-10-14-18-15/h1-14H2
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 98.9% (1544 of 1561) of all reports.
Not Classified
Aggregated GHS information provided per 1561 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,6-Dioxacycloheptadecan-7-one
REACH registered substance: 12-oxahexadecan-16-olide (EC: 229-755-6)
1,6-Dioxacycloheptadecan-7-one: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,6-Dioxacycloheptadecan-7-one: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- WGK 2
- tsca
- TSCA listed
- Toxicity
- LD50 orl-rat: >5 g/kg FCTOD7 20,789,82
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H412
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 3
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information1,6-Dioxacycloheptadecan-7-one: ACTIVE
Applications
UsesCervolide can be used for essence for laundry detergent.
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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