Basic information
- CAS
113676-50-9- Standard SMILES
CCCCCCCCCOCC(O)CO- InChIKey
PMMRWKHFAAVTRP-UHFFFAOYSA-N- Molecular formula
- C12H26O3
- Average molar mass
- 218.33 g/mol
- Monoisotopic mass
- 218.18819469
Names & identifiers
- Preferred name
- 3-(Nonyloxy)1,2-propanediol
- IUPAC
- 3-nonoxypropane-1,2-diol
- English name
- DL-Glycerin-1-n-nonylether
- Molecular formula
- C12H26O3
- Molecular weight
- 218.33
Names & synonyms
113676-50-93-(Nonyloxy)propane-1,2-diol3-(Nonyloxy)1,2-propanediol3-nonoxypropane-1,2-diol1-NonylglycerolNonyl-1-glycerol3-(nonyloxy)-1,2-propanediol1,2-Propanediol, 3-(nonyloxy)-, (+/-)-73E9M7IT671-O-Nonyl-rac-glycerolUNII-73E9M7IT671,2-Propanediol, 3-(nonyloxy)-
Show more names
DL-Glycerin-1-n-nonylether3-(Nonyloxy)propylene glycolDL-Glycerin-1-n-nonylether ISO 9001：2015 REACH
SCHEMBL118319SCHEMBL7608392PMMRWKHFAAVTRP-UHFFFAOYSA-NDTXSID201309540MFCD00171485Q27266166
Database identifiers
- CAS
113676-50-9- PubChem CID
- 9920843
- DTXSID
DTXSID201309540- UNII
- 73E9M7IT67
- EC Number
- 601-273-4
- Nikkaji
- J116.271C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 117
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Physicochemical properties
- Melting point
- 75 · 75-76.8 °C
- Boiling point
- 138 · 138-140 °C(Press: 0.7 Torr)
- Density
- 0.9423 g/cm3 · 0.9423 g/cm3
- pka
- 13.68 · 13.68±0.20(Predicted)
- FDA UNII
- 73 E9M7IT67 · 73E9M7IT67
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338-P362+P364
- HS Code
- 2905399590 · 2905399590
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
- 2905399590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P302+P352-P305+P351+P338-P362+P364
Chemistry & industry
Applications
Uses1-O-Nonyl-rac-glycerol is found to be synergistic with amphotericin B against fungi. It is also a constituent of hexadecylphosphocholine (miltefosine) as an anticancer agent.
Suppliers5 total
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
佛山合硕医药科技有限公司15363639686 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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