Products for Research Use Only
RegisterLogin

Di-sec-butyl Phthalate

CAT: 0572-TRC-D429505-100MGSize: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-D429505-100MGSize:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
4489-61-6
Synonyms
1,2-Benzenedicarboxylic Acid 1,2-Bis(1-methylpropyl) Ester; Phthalic Acid Di-sec-butyl Ester;
Hazard Statement
Suspected of damaging fertility or the unborn child; UN number: UN3082; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCC(C)OC(=O)c1ccccc1C(=O)OC(C)CC
Molecular Formula
C16H22O4
Molecular Weight
278.34
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Di-sec-butyl phthalate
CAS Number4489-61-6
PubChem CID249496
IUPAC Namedibutan-2-yl benzene-1,2-dicarboxylate
Molecular FormulaC16H22O4
Molecular Weight278.34
XLogP3.9
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count20
Formal Charge0
Complexity294
SMILES
CCC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)CC
InChI
InChI=1S/C16H22O4/c1-5-11(3)19-15(17)13-9-7-8-10-14(13)16(18)20-12(4)6-2/h7-12H,5-6H2,1-4H3
InChIKey
HAPGVMADJBQOGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Di-sec-butyl phthalate
CAS: 4489-61-6
CID: 249496
Formula: C16H22O4
MW: 278.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.34
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass278.15180918
Monoisotopic Mass278.15180918
Topological Polar Surface Area52.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity294
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-B692440-1GButyl sec-Butyl Phthalate
TRC-B692440-100MGButyl sec-Butyl Phthalate
TRC-B692442-25MGButyl sec-Butyl Phthalate-d4
TRC-M525110-250MGMono-sec-butyl Phthalate
TRC-M525110-2.5GMono-sec-butyl Phthalate
TRC-M525112-25MGMono-sec-butyl Phthalate-d4
TRC-D429496-2MGDi-n-butyl Phthalate-d22
TRC-D429496-10MGDi-n-butyl Phthalate-d22
TRC-D429496-1MGDi-n-butyl Phthalate-d22
TRC-H297190-500MGsec-Hexyl Alcohol Phthalate

Alternative Products

CatalogName
446506-01Di-sec-butyl Phthalate
446507Di-sec-butyl Phthalate-d4
sc-504467Butyl sec-Butyl Phthalate
443669Butyl sec-Butyl Phthalate-d4
456477-01Mono-sec-butyl Phthalate
456478Mono-sec-butyl Phthalate-d4
028073-01Di -n-Butyl Phthalate
S-1770Di-n-butyl phthalate
508365-01Di-n -Butyl Phthalate AR/ACS
465991Sec-Hexyl Alcohol Phthalate

Popular Products