Basic information
- CAS
19102-90-0- Standard SMILES
COC(=O)CCCCCCCCCCCCCCC(=O)OC- InChIKey
MQIZSSSBYFJIJF-UHFFFAOYSA-N- Molecular formula
- C18H34O4
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.24570956
Names & identifiers
- Preferred name
- Hexadecanedioic acid, dimethyl ester
- IUPAC
- dimethyl hexadecanedioate
- English name
- DIMETHYL HEXADECANEDIOATE
- Molecular formula
- C18H34O4
- Molecular weight
- 314.46
Names & synonyms
19102-90-0Hexadecanedioic acid, dimethyl esterDTXSID30172628RefChem:1086517DTXCID1095119Dimethyl hexadecanedioateHexadecanedioic acid, 1,16-dimethyl esterMFCD000398061,16-dimethyl hexadecanedioateHexadecanedioic Acid Dimethyl EsterThapsic acid, dimethyl esterSCHEMBL494569
Show more names
Dimethyl HexadecandioanteDimethylHexadecanedioate>DIMETHYL-1,16-HEXADECANEDIOATEhexadecanedioic acid,dimethyl ester
Hexadecadioic acid, dimethyl esterD35541,14-Tetradecanedicarboxylic acid dimethyl esterHexadecanedioic acid,1,16-dimethyl esterDimethyl thapsateorb3209986Hexadecandioic acid, dimethyl esterAKOS027430441
Database identifiers
- CAS
19102-90-0- PubChem CID
- 140477
- DTXSID
DTXSID30172628- Nikkaji
- J26.299D
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 53 °C · 53 °C
- Boiling point
- 172 °C · 172 °C / 1mmHg
- Density
- 0.945 · 0.945±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- form
- powder to crystal
- color
- White to Almost white
- InChI
- InChI=1S/C18H34O4/c1-21-17(19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)22-2/h3-16H2,1-2H3
- InChIKey
- MQIZSSSBYFJIJF-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)CCCCCCCCCCCCCCC(OC)=O
- LogP
- 5.958 · 5.958 (est)
- CAS DataBase Reference
- 19102 · 19102-90-0
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2917.19.7050
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Chemistry & industry
Applications
UsesDimethyl hexadecanedioate (Hexadecanedioic acid,dimethyl ester) is an ester product.
Upstream & downstream products
Downstream products
Suppliers74 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
南京玛奇朵医药科技有限公司19556085883 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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