Basic information
- CAS
777-95-7- Standard SMILES
O=C1CCCCC(=O)OCCCCO1- InChIKey
AXKZIDYFAMKWSA-UHFFFAOYSA-N- Molecular formula
- C10H16O4
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.10485899
Names & identifiers
- Preferred name
- 1,6-Dioxacyclododecane-7,12-dione
- IUPAC
- 1,6-dioxacyclododecane-7,12-dione
- English name
- 1,6-dioxacyclododecane-7,12-dione
- Molecular formula
- C10H16O4
- Molecular weight
- 200.23
Names & synonyms
1,6-DIOXACYCLODODECANE-7,12-DIONE777-95-7EINECS 212-291-3UNII-K085AS8U9AK085AS8U9ADTXSID70228330ADIPIC ACID, CYCLIC TETRAMETHYLENE ESTERRefChem:73609DTXCID901508211,6-DIOXACYCLODODECANE-7,12-DION212-291-3AXKZIDYFAMKWSA-UHFFFAOYSA-N
Show more names
Adipic acid 1,4-butanediyl1，6-dioxyclodecane-7，12-dioneAdipic acid butane-1,4-diyl esterAdipic acid (butane-1,4-diyl) ester
MFCD00046971Adipic Acid Cyclic Tetramethylene Esterbutylene adipateSCHEMBL189733AKOS028114726AS-61225DB-2911421,6-DIOXACYCLODODECANE- 7,12-DION
Database identifiers
- CAS
777-95-7- PubChem CID
- 13064
- DTXSID
DTXSID70228330- UNII
- K085AS8U9A
- EC Number
- 212-291-3
- Nikkaji
- J99.628I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physicochemical properties
- Melting point
- 90 · 90-93°C
- Boiling point
- 422.3 · 422.3±38.0 °C(Predicted)
- Density
- 1.065 · 1.065±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethanol (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- White to Pale Yellow
- FDA UNII
- 85 AS8U9A · K085AS8U9A
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H303
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P312
Safety & regulation
GHS classification
GHS Classification
Warning
H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 5 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335-H303
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P312
Chemistry & industry
Applications
Uses1,6-Dioxacyclododecane-7,12-dione, is on of the Macrocyclic compounds. It can be used in the preparation of other Symmetrical cyclic diesters and dilactones.
Suppliers20 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [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13636370518 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…