Glyceryl 1,3-Dilaurate

HCID 101758
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Basic information

CAS
539-93-5
Standard SMILES
CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC
InChIKey
KUVAEMGNHJQSMH-UHFFFAOYSA-N
Molecular formula
C27H52O5
Average molar mass
456.7 g/mol
Monoisotopic mass
456.38147476

Names & identifiers

Preferred name
Glyceryl 1,3-Dilaurate
IUPAC
(3-dodecanoyloxy-2-hydroxypropyl) dodecanoate
English name
ALPHA,ALPHA'-DILAURIN
Molecular formula
C27H52O5
Molecular weight
456.7

Names & synonyms

alpha,alpha'-Dilaurin1,3-Dilaurin1,3-DilauroylglycerolGlyceryl 1,3-dilaurateGlycerol 1,3-dilaurateUNII-D29X1BO64VLAURIN, 1,3-DI-D29X1BO64VDodecanoic acid, 2-hydroxy-1,3-propanediyl esterEINECS 208-731-92-Hydroxypropane-1,3-diyl dilaurateAI3-03483
Show more names
GLYCERYL DILAURATEDiluarinα,α'-Dilaurinα,α'-Dilaurin>GLYCEROL DILAURATEDILAURIN 1-3 ISOMER1,3-DILAURIN (C12:0)ALPHA,ALPHA'-DILUARIN
Dodecanoic acid, 1,1'-(2-hydroxy-1,3-propanediyl) esterDTXSID9060237GLYCEROL 1,3-DIDODECANOATE.ALPHA.,.ALPHA.'-DILAURINalpha, alpha'-dilaurinRefChem:143789DTXCID8041533539-93-5

Database identifiers

CAS
539-93-5
PubChem CID
101758
DTXSID
DTXSID9060237
UNII
D29X1BO64V
EC Number
208-731-9
Nikkaji
J11.555J

Properties

Computed structural properties

XLogP
9.7
Topological polar surface area
72.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
26
Heavy atoms
32

Experimental & physicochemical properties

Physical DescriptionSolid

Physicochemical properties

Melting point
59 °C · 59 °C
Boiling point
539.9 · 539.9±17.0 °C(Predicted)
Density
0.953 · 0.953±0.06 g/cm3(Predicted)
storage temp.
20 °C · −20°C
solubility
Acetonitrile (Slightly), Chloroform (Slightly)
pka
12.63 · 12.63±0.20(Predicted)

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

F
10-21
wgk
1
tsca
TSCA listed
hs_code
2918.19.9000

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationDodecanoic acid, 1,1'-(2-hydroxy-1,3-propanediyl) ester: ACTIVE

Applications

Usesα,α''-Dilaurin is a possible antimicrobial agent against gram-posistive organisms.

Suppliers61 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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