Glyceryl Tri (2-Ethylhexanoate)

CAT: 0127-OR1024463-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR1024463-01Size:100 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

7360-38-5

Synonyms

2,3-bis (2-ethylhexanoyloxy) propyl 2-ethylhexanoate

Purity

99%

Smiles

CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC

Chemical Information

Glyceryl tri(2-ethylhexanoate)

Triethylhexanoin is an ingredient of cosmetic products as a fragrant solvent.

CAS Number	7360-38-5
PubChem CID	110973
IUPAC Name	2,3-bis(2-ethylhexanoyloxy)propyl 2-ethylhexanoate
Molecular Formula	C27H50O6
Molecular Weight	470.7
XLogP	8.5
Topological Polar Surface Area	78.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	23
Heavy Atom Count	33
Formal Charge	0
Complexity	501

SMILES

CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC

InChI

InChI=1S/C27H50O6/c1-7-13-16-21(10-4)25(28)31-19-24(33-27(30)23(12-6)18-15-9-3)20-32-26(29)22(11-5)17-14-8-2/h21-24H,7-20H2,1-6H3

InChIKey

DGSZGZSCHSQXFV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7360-38-5

CID: 110973

Formula: C27H50O6

MW: 470.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	470.7
XLogP3	8.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	23
Exact Mass	470.36073931
Monoisotopic Mass	470.36073931
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	501
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1012589	Butyltin Tris (2-Ethylhexanoate)
BUP11393-01	Ethyl 2-ethylhexanoate
BUP11350-01	Methyl 2-ethylhexanoate
OR1065356-01	Lithium 2-ethylhexanoate
OR46573-01	Sodium 2-ethylhexanoate
BUP11333-01	Isobutyl 2-ethylhexanoate
BUP11428-01	Isopropyl 2-ethylhexanoate
IN11979	Calcium 2-Ethylhexanoate
OR1027940	Bismuth 2-Ethylhexanoate
BUP13790-01	Butyl 2-ethylhexanoate

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