D-Glucitol, 1,4-anhydro-, 6-dodecanoate
Basic information
- CAS
5959-89-7- Standard SMILES
CCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC[C@@H](O)[C@H]1O- InChIKey
LWZFANDGMFTDAV-CYGHRXIMSA-N- Molecular formula
- C18H34O6
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.2355388
Names & identifiers
- Preferred name
- D-Glucitol, 1,4-anhydro-, 6-dodecanoate
- IUPAC
- [(2S)-2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] dodecanoate
- English name
- 1,4-anhydro-D-glucitol 6-dodecanoate
- Molecular formula
- C18H34O6
- Molecular weight
- 346.46
Names & synonyms
1,4-Anhydro-D-glucitol 6-dodecanoate5959-89-7D-Glucitol, 1,4-anhydro-, 6-dodecanoateUNII-I83YVS58E5I83YVS58E5EINECS 227-729-9RefChem:130569227-729-96-Dodecanoate-1,4-anhydro-D-glucitol[(2S)-2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] dodecanoate6-Dodecanoate-1,4-anhydro-D-glucitol-d23LWZFANDGMFTDAV-CYGHRXIMSA-N
Show more names
6-O-Dodecanoyl-1-deoxy-D-gluco-hexofuranose
Q27280557(R)-2-((2R,3R,4S)-3,4-Dihydroxytetrahydrofuran-2-yl)-2-hydroxyethyl Dodecanoate-d23
Database identifiers
- CAS
5959-89-7- PubChem CID
- 111116
- UNII
- I83YVS58E5
- EC Number
- 227-729-9
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Boiling point
- 516.1 · 516.1±45.0 °C(Predicted)
- Density
- 1.123 · 1.123±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 13.17 · 13.17±0.20(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 83 YVS58E5 · I83YVS58E5
- EPA Substance Registry System
- 1 · D-Glucitol, 1,4-anhydro-, 6-dodecanoate (5959-89-7)
- TSCA
- TSCA listed
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 ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: D-Glucitol, 1,4-anhydro-, 6-dodecanoate
D-Glucitol, 1,4-anhydro-, 6-dodecanoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - D-Glucitol, 1,4-anhydro-, 6-dodecanoate: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationD-Glucitol, 1,4-anhydro-, 6-dodecanoate: INACTIVE
Applications
Uses6-Dodecanoate-1,4-anhydro-D-glucitol is used in the synthetic preparation of nonionic surfactant.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…