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| CAS Number | 538-23-8 |
| Catalog Number | AG0032K3(AGN-PC-0SG019) |
| Chemical Name | Trioctanoin |
| EC Number | 208-686-5 |
| IUPAC Name | 2,3-di(octanoyloxy)propyl octanoate |
| InChI | InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3 |
| InChI Key | VLPFTAMPNXLGLX-UHFFFAOYSA-N |
| MDL Number | MFCD00036236 |
| Molecular Formula | C27H50O6 |
| Molecular Weight | 470.6823 |
| NSC Number | 4059 |
| SMILES | O=C(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCC)CCCCCCC |
| UNII | 6P92858988 |
| Synonyms | 2-ethylhexanoic acid, 1,2,3-propanetriyl ester,
glycerol tricaprylate,
glycerol trioctanoate,
glyceryl tricaprylate,
glyceryl trioctanoate,
octanoic acid, 1,2,3- propanetriyl ester,
Panasate 800,
tricaprylin,
triethylhexanoin,
trioctanoin,
trioctanoylglyceride,
Tricaprylin,
Trioctanoin,
538-23-8,
Glycerol tricaprylate,
Glycerol trioctanoate,
Rato,
Tricaprilin,
Caprylin,
Trioctanoylglycerol,
Maceight,
Glyceryl trioctanoate,
Octanoin, tri-,
Propane-1,2,3-triyl trioctanoate,
Glyceryl tricaprylate,
Tricaprylic glyceride,
Caprylic acid triglyceride,
1,2,3-Tri-n-octanoylglycerol,
Caprylic triglyceride,
Trioctanoin oil,
Octanoic acid triglyceride,
Panacete 800,
Axona,
Octanoic acid, 1,2,3-propanetriyl ester,
Tricaprylyl glycerin,
Sefsol 800,
NSC 4059,
2,3-di(octanoyloxy)propyl octanoate,
Tricapryloylglycerol,
Glycerin tricaprylate,
Tricaprilin [JAN],
1,2,3-Propanetriol trioctanoate,
EINECS 208-686-5,
UNII-6P92858988,
BRN 1717202,
Caprylic acid, 1,2,3-propanetriyl ester,
Octanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester,
CHEBI:76978,
VLPFTAMPNXLGLX-UHFFFAOYSA-N,
Tricaprilin (JAN),
NCGC00091285-01,
DSSTox_CID_1375,
DSSTox_RID_76119,
DSSTox_GSID_21375,
TG(8:0/8:0/8:0),
6P92858988,
caprylidene,
Tri-n-octanoin,
trioctanoylglyceride,
CAS-538-23-8,
Glycerol Tri-n-octanoate,
tricaprylm,
Tri-octanoin,
Tri-n-caprylin,
HSDB 7829,
Emalex KTG,
EOIEyEthAEao yen,
glycerintricaprylate,
Glycerol trioctanoin,
Tricaprylyl glycerol,
MFCD00036236,
Miglyol 808,
Sefsol 810,
EOI>>uEyEthAEao yen,
Captex 8000,
Glycerol trioctanoic acid,
Octanoin, tri- (8CI),
Tricaprilin [USAN:JAN],
1,2,3-Trioctanoylglycerol,
EyEthA(3/4)<<,
1,2,3-Tricapryloylglycerol,
SCHEMBL61958,
4-02-00-00991 (Beilstein Handbook Reference),
KSC492O1F,
MLS002454452,
1,2,3-EyEthAo pound EOI,
AC1L1W35,
Glyceryl trioctanoate, >=99%,
CHEMBL1406148,
DTXSID6021375,
CTK3J2712,
NSC4059,
HMS3039H17,
C27H50O6,
CER-0001,
NSC-4059,
ZINC8214697,
Tox21_111110,
Tox21_201480,
Tox21_302762,
ANW-42078,
WHO 10584,
Octanoic acid,2,3-propanetriyl ester,
AKOS015899778,
Tox21_111110_1,
CCG-214786,
DB12176,
LS-1333,
MCULE-5474939153,
RTR-019018,
2,3-Bis(octanoyloxy)propyl octanoate #,
KS-0000013X,
NCGC00091285-02,
NCGC00091285-03,
NCGC00256431-01,
NCGC00259031-01,
AN-21307,
SMR001372028,
TR-019018,
FT-0720359,
ST51037450,
T0365,
X4616,
C13044,
D01587,
Glyceryl trioctanoate, technical, >=90% (GC),
Octanoic acid 2,3-bis-octanoyloxy-propyl ester,
2-octanoyloxy-1-(octanoyloxymethyl)ethyl octanoate,
SR-01000854712,
SR-01000854712-2,
I14-11558,
octanoic acid, 2-[(1-oxooctyl)oxy]-1,3-propanediyl ester,
Tricaprylin, European Pharmacopoeia (EP) Reference Standard,
UNII-C9H2L21V7U component VLPFTAMPNXLGLX-UHFFFAOYSA-N,
UNII-FJ1H6M2JG9 component VLPFTAMPNXLGLX-UHFFFAOYSA-N,
UNII-J4BY50FL78 component VLPFTAMPNXLGLX-UHFFFAOYSA-N,
UNII-ZF29F7IK5I component VLPFTAMPNXLGLX-UHFFFAOYSA-N,
UNII-U73D397055 component VLPFTAMPNXLGLX-UHFFFAOYSA-N,
triacylglycerol,
Triglyceride,
Triethylhexanoin,
Panasate 800,
1,2,3-propanetriyl octanoate,
AC-1202,
CID10850,
C27-H50-O6,
octanoic acid, 1,2,3- propanetriyl ester,
2-ethylhexanoic acid, 1,2,3-propanetriyl ester,
C003637,
Octanoin, tri-(Octanoic acid, 1,2,3-propanetriyl ester; Tricaprylin),
|
| Complexity | 461 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 470.361g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 470.691g/mol |
| Monoisotopic Mass | 470.361g/mol |
| Rotatable Bond Count | 26 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.9 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302 |
| Packing Group | |
| Precautionary statements | P280-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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