Basic information
- CAS
3903-40-0- Standard SMILES
COC(=O)CCCCCCCCCCC(=O)O- InChIKey
REGGDLIBDASKGE-UHFFFAOYSA-N- Molecular formula
- C13H24O4
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.16745924
Names & identifiers
- Preferred name
- Dodecanedioic Acid Monomethyl Ester
- IUPAC
- 12-methoxy-12-oxododecanoic acid
- English name
- DODECANEDIOIC ACID MONOMETHYL ESTER
- Molecular formula
- C13H24O4
- Molecular weight
- 244.33
Names & synonyms
Dodecanedioic acid monomethyl esterDTXSID60282966RefChem:590141DTXCID10234117675-951-312-methoxy-12-oxododecanoic acid3903-40-0Dodecanedioic Acid 1-Methyl EsterMFCD0005332312-methoxy-12-oxo-dodecanoic acid11MeOCO undec acidmonomethyl dodecanedioate
Show more names
NSC 29000MONOMETHYL-DODECANEDIOATEMethyl 11-Carboxyundecanoate12-keto-12-methoxy-lauric acidMonoMethyl 1,12-Dodecanedioate11-CarboMethoxyundecanoic Acid
methyl hydrogen dodecanedioateorb3176345SCHEMBL234170212-methoxy-12-oxododecanoicacidmonomethyl dodecane-1,12-dioateREGGDLIBDASKGE-UHFFFAOYSA-NEST12/13NSC29000
Database identifiers
- CAS
3903-40-0- PubChem CID
- 231998
- DTXSID
DTXSID60282966- EC Number
- 675-951-3
- Nikkaji
- J690.682F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 51.5 · 51.5-52 °C
- Boiling point
- 170 °C · 170 °C(Press: 3 Torr)
- Density
- 1.012 · 1.012±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly)
- form
- Solid
- pka
- 4.78 · 4.78±0.10(Predicted)
- color
- White
- InChI
- InChI=1S/C13H24O4/c1-17-13(16)11-9-7-5-3-2-4-6-8-10-12(14)15/h2-11H2,1H3,(H,14,15)
- InChIKey
- REGGDLIBDASKGE-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)CCCCCCCCCCC(O)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
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 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
Safety data
- hs_code
- 2917198090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesUsed in cosmetic compositions.
UsesDodecanedioic Acid 1-Methyl Ester is used in cosmetic composition.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
Related reactions
3 records
Compound notes
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