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2-Propanol, 1,3-bis(octadecyloxy)-

HCID 86791
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
18794-74-6
Standard SMILES
CCCCCCCCCCCCCCCCCCOCC(O)COCCCCCCCCCCCCCCCCCC
InChIKey
OCBCKLNPFLODGO-UHFFFAOYSA-N
Molecular formula
C39H80O3
Average molar mass
597 g/mol
Monoisotopic mass
596.61074642

Names & identifiers

Preferred name
2-Propanol, 1,3-bis(octadecyloxy)-
IUPAC
1,3-dioctadecoxypropan-2-ol
English name
1,3-bis(octadecyloxy)propan-2-ol
Molecular formula
C39H80O3
Molecular weight
597.0507

Names & synonyms

18794-74-62-Propanol, 1,3-bis(octadecyloxy)-Glycerine 1,3-distearyl ehterGlycerin, 1,3-distearyl etherEINECS 242-578-9DTXSID9066415RefChem:478415DTXCID20359361,3-Bis(octadecyloxy)propan-2-ol1,3-dioctadecoxypropan-2-ol1,3-distearylglycerolSCHEMBL251104
Show more names
1-O,3-O-Distearylglycerol1,3-Bis(octadecyloxy)-2-propanol1,3-Bis(octadecyloxy)propane-2-ol
1,3-dioctadecyloxy-2-propanolNS00026152

Database identifiers

CAS
18794-74-6
PubChem CID
86791
DTXSID
DTXSID9066415
EC Number
242-578-9
Nikkaji
J222.305H

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
415

Physicochemical properties

EPA Substance Registry System
2 · 2-Propanol, 1,3-bis(octadecyloxy)- (18794-74-6)
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 Information2-Propanol, 1,3-bis(octadecyloxy)-: INACTIVE

Suppliers1 total

佛山合硕医药科技有限公司15363639686 · [email protected]

Related reactions

2 records
New reaction record
HRID 1730824 reaction equation
HRID 1730824As reactantuspto-grants-1976_11
HRID 2321902 reaction equation
HRID 2321902As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes