Diisopentyl Phthalate

CAT: 1299-RG-D090901-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-D090901-01Size:10 mg

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CAS Number

605-50-5

Synonyms

Diisopentyl phthalate

Molecular Formula

C18H26O4

Molecular Weight

306.4

Product Name Synonym

Diisopentyl phthalate

Chemical Information

Diisopentyl phthalate

isoamyl phthalate has been reported in Cryptotaenia canadensis with data available.

CAS Number	605-50-5
PubChem CID	69059
IUPAC Name	bis(3-methylbutyl) benzene-1,2-dicarboxylate
Molecular Formula	C18H26O4
Molecular Weight	306.4
XLogP	5.6
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	22
Formal Charge	0
Complexity	315

SMILES

CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C

InChI

InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3

InChIKey

JANBFCARANRIKJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 605-50-5

CID: 69059

Formula: C18H26O4

MW: 306.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.4
XLogP3	5.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	306.18310931
Monoisotopic Mass	306.18310931
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	315
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
RG-D091708-01	Diisoheptyl Phthalate (Mixture Of C7 Isomers)
RG-D091702-01	Dihexyl Phthalate
RG-D090402-01	Didodecyl Phthalate
RG-D091609-01	Diphenyl Phthalate
RG-D090363-01	Dicyclohexyl Phthalate
RG-D091327-01	Dimethyl Phthalate
RG-A262246-01	Diisopropyl Phthalate
RG-A262896-01	Monohexyl Phthalate
RG-A261233-01	Monomethyl Phthalate
RG-D091709-01	Diheptyl Phthalate

Catalog	Name
010079	Diisopentyl Phthalate
HY-W101584S-01	Diisopentyl phthalate-d4
REPHT060	Diisopentyl phthalate 1000ug/mL in Isooctane - 1ML
REPHT061	Diphthalate Ester Std Diisopentyl phthalate Neat - 10MG
TRC-D455248-5G	Diisopentyl Oxalate
sc-239759	Diisopentyl ether
022805-01	Benzyl Butyl Phthalate for Synthesis (Butylbenzyl Phthalate)
HY-W011215-01	Dihexyl phthalate
ZAA53958	Monoheptyl phthalate
FD62526	Dimethyl Phthalate