Dimethyl dodecanedioate
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Basic information
- CAS
1731-79-9- Standard SMILES
COC(=O)CCCCCCCCCCC(=O)OC- InChIKey
IZMOTZDBVPMOFE-UHFFFAOYSA-N- Molecular formula
- C14H26O4
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.18310931
Names & identifiers
- Preferred name
- Dimethyl dodecanedioate
- IUPAC
- dimethyl dodecanedioate
- English name
- Dimethyl dodecanedioate
- Molecular formula
- C14H26O4
- Molecular weight
- 258.35
Names & synonyms
Dimethyl dodecanedioateDimethyl 1,10-decanedicarboxylateDodecanedioic acid, 1,12-dimethyl ester1,12-Dimethyl dodecanedioateDimethyl 1,12-dodecanedioateEINECS 217-050-6DTXSID0074390NSC 118878RefChem:134238DTXCID1035521217-050-6IZMOTZDBVPMOFE-UHFFFAOYSA-N
Show more names
DDME1OV10VO1TIMTEC-BB SBB007707DimethyldodecandioatDimethyIDodecanedioateDimethylDodecanedioate>Dodecanedioic acid dimethylDimethyl-1,12-dodecandioate
1731-79-9Dodecanedioic acid dimethyl esterDODECANEDIOIC ACID, DIMETHYL ESTERMFCD00043632dimethyl decamethylenedicarboxylateAS-38795D2835dimethyl dodecane-1,12-dioate
Database identifiers
- CAS
1731-79-9- PubChem CID
- 74415
- DTXSID
DTXSID0074390- EC Number
- 217-050-6
- Nikkaji
- J46.706E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 30 · 30-32°C
- Boiling point
- 187 · 187-188°C 14mm
- Density
- 0.9914 · 0.9914 (rough estimate)
- refractive index
- 1.4301 · 1.4301 (estimate)
- Flash point
- 187 · 187-188°C/14mm
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Almost white or Almost colorless
- BRN
- 1790424 · 1790424
- InChI
- InChI=1S/C14H26O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h3-12H2,1-2H3
- InChIKey
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 100% (25 of 25) of all reports.
Not Classified
Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 2917.19.7050
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDodecanedioic acid, 1,12-dimethyl ester: ACTIVE
Applications
UsesDimethyl dodecanedioate is a flavor intermediate that could be used as a raw material for synthetic musk fragrances.
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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