1-Propanol, 2,3-bis(octadecyloxy)-
Basic information
- CAS
6076-38-6- Standard SMILES
CCCCCCCCCCCCCCCCCCOCC(CO)OCCCCCCCCCCCCCCCCCC- InChIKey
QEHCYTDFERPPPU-UHFFFAOYSA-N- Molecular formula
- C39H80O3
- Average molar mass
- 597 g/mol
- Monoisotopic mass
- 596.61074641
Names & identifiers
- Preferred name
- 1-Propanol, 2,3-bis(octadecyloxy)-
- IUPAC
- 2,3-dioctadecoxypropan-1-ol
- English name
- 2,3-bis(octadecyloxy)propan-1-ol
- Molecular formula
- C39H80O3
- Molecular weight
- 597.05
Names & synonyms
6076-38-61-Propanol, 2,3-bis(octadecyloxy)-Glycerine 1,2-distearyl etherEINECS 228-012-3DTXSID40884220RefChem:436215DTXCID6010236751,2-O-Dioctadecyl-rac-glycerol2,3-Bis(octadecyloxy)propan-1-ol13071-61-92,3-dioctadecoxypropan-1-ol1,2-O-Dioctadecylglycerol
Show more names
1-O,2-O-Dioctadecylglycerol1,2-Di-O-octadecyl-rac-glycerol2,3-Bis(octadecyloxy)-1-propanol
DL-alpha,beta-Dioctadecyl-glycerolMFCD00171462C39H80O3D-alpha,beta-Dioctadecyl-glycerolDL-,-Dioctadecyl-glycerolDL-a,b-Dioctadecyl-glycerol1,2-dioctadecyl-rac-glycerolSCHEMBL139951
Database identifiers
- CAS
6076-38-6- PubChem CID
- 110762
- DTXSID
DTXSID40884220- EC Number
- 228-012-3
- Nikkaji
- J227.282B
Properties
Computed structural properties
- XLogP
- 17
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 38
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Melting point
- 64 · 64~65
- Boiling point
- 653.6 · 653.6±35.0 °C(Predicted)
- Density
- 0.874 · 0.874±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 5 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 0.25 mg/ml
- form
- A crystalline solid
- pka
- 14.23 · 14.23±0.10(Predicted)
- EPA Substance Registry System
- 1 · 1-Propanol, 2,3-bis(octadecyloxy)- (6076-38-6)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanol, 2,3-bis(octadecyloxy)-: INACTIVE
Applications
Uses12-O-Dioctadecyl-rac-glycerol is an analogue of diacylglycerol. It has been incorporated into model lipid bilayers in order to study the dynamics of various biological membrane compositions.
Upstream & downstream products
Upstream raw materials
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