Basic information
- CAS
54982-83-1- Standard SMILES
O=C1CCCCCCCCCCC(=O)OCCO1- InChIKey
GJJSUPSPZIZYPM-UHFFFAOYSA-N- Molecular formula
- C14H24O4
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.16745924
Overview
structure in first source
Names & identifiers
- Preferred name
- Ethylene dodecanedioate
- IUPAC
- 1,4-dioxacyclohexadecane-5,16-dione
- English name
- 1,4-DIOXACYCLOHEXADECANE-5,16-DIONE
- Molecular formula
- C14H24O4
- Molecular weight
- 256.34
Names & synonyms
1,4-DIOXACYCLOHEXADECANE-5,16-DIONEEthylene dodecanedioate54982-83-1Cyclic ethylene dodecanedioateDTXSID1044568ZENOLIDENBW53A4P49DTXCID9024568RefChem:139132259-423-6MuskonateEthylenedodecanedioate
Show more names
AROVA Nmusk mc4ATTRACTOLIDEethylendodecandioatethylene dodecanoateEthylenecyclicdodecanedioateEthylene-cyclic-dodecanedioate-
Ethylene cyclic dodecanedioateMusk C-14Arova 16EINECS 259-423-6BRN 0199405UNII-NBW53A4P49ethylene dodecandioateEC 259-423-6
Database identifiers
- CAS
54982-83-1- PubChem CID
- 41270
- DTXSID
DTXSID1044568- ChEMBL
CHEMBL3186723- UNII
- NBW53A4P49
- EC Number
- 259-423-6
- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Ethylene dodecanedioate) -> IFRA transparency List
Physical DescriptionLiquid; CBI
Physicochemical properties
- Boiling point
- 135 °C · 135 °C(Press: 0.1 Torr)
- Density
- 0.99 · 0.990±0.06 g/cm3(Predicted)
- vapor pressure
- 0.028 Pa · 0.028Pa at 25℃
- Specific Gravity
- 1.06 · 1.06
- Odor
- 100 % · at 100.00 %. sweet clean waxy musk animal
- Odor Type
- musk
- Water Solubility
- 75 mg/L · 75mg/L at 20℃
- Cosmetics Ingredients Functions
- PERFUMINGFRAGRANCE
- LogP
- 3.65 at · 3.65 at 20℃
- EWG's Food Scores
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
Warning
H400 (97.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1801 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,4-Dioxacyclohexadecane-5,16-dione
1,4-Dioxacyclohexadecane-5,16-dione is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Dioxacyclohexadecane-5,16-dione 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: 1,4-dioxacyclohexadecane-5,16-dione (EC: 259-423-6)
1,4-Dioxacyclohexadecane-5,16-dione: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Ethylene brassylate and zenolide
Hazard Classes and CategoriesAquatic Acute 1 (97.7%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400-H412
- REACH Registrations
- Active
- Precautionary statements
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <75,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 6 consumer products that contain Ethylene Dodecanedioate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
1,4-Dioxacyclohexadecane-5,16-dione: ACTIVE
Suppliers22 total
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
Syntechem Co.,Ltd[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
荆州市尹杰化工有限公司18008658728 · [email protected]
上海竹田化工科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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