Dioctyl adipate

CAT: 0024-sc-357338Size: 10 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-357338Size:10 mL

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CAS Number

123-79-5

Chemical Information

Dioctyl Adipate

Dioctyl hexanedioate is a carboxylic ester.

CAS Number	123-79-5
PubChem CID	31271
IUPAC Name	dioctyl hexanedioate
Molecular Formula	C22H42O4
Molecular Weight	370.6
XLogP	7.4
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	21
Heavy Atom Count	26
Formal Charge	0
Complexity	296

SMILES

CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC

InChI

InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3

InChIKey

NEHDRDVHPTWWFG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 123-79-5

CID: 31271

Formula: C22H42O4

MW: 370.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	370.6
XLogP3	7.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	21
Exact Mass	370.30830982
Monoisotopic Mass	370.30830982
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	296
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-252745	Dioctyl phenylphosphonate
sc-234770	Dioctyl sulfide
sc-239794	Dioctyl ether
sc-234771	Dioctyl terephthalate
sc-497220	Dioctyl Terepthalate-d4
sc-491803	Dioctyl (maleate) tin
sc-472373	Disodium Adipate
sc-268916	Diisobutyl adipate
sc-234699	Diisodecyl adipate
sc-477471	Phosphoric Acid Dioctyl Ester

Catalog	Name
HY-116242-01	Dioctyl adipate
024805-01	Bis- (2 -Ethylhexyl) Adipate for Synthesis (Dioctyl Adipate; DOA)
163878	Dioctyl Terepthalate
447290-01	Dioctyl Phenylphosphonate
RG-A262023-01	Dioctyl Isophthalate
RG-A260493-01	Dioctyl Sebacate
OR1012973-01	Dioctyl Terephthalate
13615-15	Dioctyl Phthalate
BAA68031-01	Dioctyl carbonate
274395-01	Dioctyl succinate