Basic information
- CAS
3391-83-1- Standard SMILES
O=C1CCCCCCCCCOCCCCCO1- InChIKey
MKEIDVFLAWJKMY-UHFFFAOYSA-N- Molecular formula
- C15H28O3
- Average molar mass
- 256.38 g/mol
- Monoisotopic mass
- 256.20384476
Overview
11-Oxahexadecanolide is a macrolide.
Names & identifiers
- Preferred name
- 11-Oxahexadecanolide
- IUPAC
- 1,7-dioxacycloheptadecan-8-one
- English name
- 11-Oxahexadecan-16-olide
- Molecular formula
- C15H28O3
- Molecular weight
- 256.38
Names & synonyms
11-OxahexadecanolideRefChem:736941,7-Dioxacycloheptadecan-8-one3391-83-1Musk R 1Musk R-111-Oxahexadecan-16-olideEINECS 222-225-51,7-DIOXACYCLOHEPTADECAN-17-ONE16-Hydroxy-11-oxahexadecanoic acid, omega-lactoneDecanoic acid, 10-((5-hydroxypentyl)oxy)-, o-lactone11-Oxa-16-hexadecanolid
Show more names
musk lactone11-Oxahexadecan-16-olid11-0xahexadecan-16-olide1,7-Dioxacyploheptadecan-8-one11,17-dioxacycloheptadecan-1-one
Musk R 1 98%Oprea1_015798Oprea1_226323SCHEMBL111476DTXSID205202311-Oxa-16-hexadecanolide 98%CHEBI:230424MKEIDVFLAWJKMY-UHFFFAOYSA-N
Database identifiers
- CAS
3391-83-1- PubChem CID
- 18826
- DTXSID
DTXSID2052023- ChEBI
CHEBI:230424- EC Number
Properties
Computed structural properties
- XLogP
- 4
- 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
FragrancesFragrance Ingredient (11-Oxahexadecanolide) -> IFRA transparency List
Physicochemical properties
- Melting point
- 35 °C · 35 °C
- Boiling point
- 339.62 °C · 339.62°C (rough estimate)
- Density
- 1.0509 · 1.0509 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- solubility
- Almost insoluble in water, soluble in alcohol and oils.
- form
- Opaque crystalline mass.
- Odor
- Musk fragrance
- Odor Type
- musk
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- InChI=1S/C15H28O3/c16-15-11-7-4-2-1-3-5-8-12-17-13-9-6-10-14-18-15/h1-14H2
- InChIKey
- MKEIDVFLAWJKMY-UHFFFAOYSA-N
- SMILES
- O1CCCCCCCCCC(=O)OCCCCC1
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 99% (1541 of 1557) of all reports.
Not Classified
Aggregated GHS information provided per 1557 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,7-Dioxacycloheptadecan-8-one
REACH registered substance: 11-oxahexadecan-16-olide (EC: 222-225-5)
1,7-Dioxacycloheptadecan-8-one: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,7-Dioxacycloheptadecan-8-one: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 orl-rat: >5 g/kg FCTOD7 20,787,82
- Hazard statements
- H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information1,7-Dioxacycloheptadecan-8-one: ACTIVE
Applications
Uses11-Oxahexadecan-16-olide is an outstanding fixative and an exquisite musk odour with a pleasant note resembling Ambrette-seed oil. This musk is used in perfume compositions at concentrations of 0.5 % or higher, although lower concentrations are known to have had a perceptible effect. The use of this material in minute traces in beverages, chewing gum and other flavoured products is known, but the correct dosage in flavours is much more critical than in perfumes. The suggested use level is normally well below 0.1 ppm in the finished product and lowest in beverages.
Upstream & downstream products
Upstream raw materials
Suppliers46 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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