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Cyclohexyl Butyl Phthalate

CAT: 0572-TRC-C988140-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C988140-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
84-64-0
Synonyms
1,2-Benzenedicarboxylic acid, butyl cyclohexyl ester (9CI); Phthalic acid, butyl cyclohexyl ester (6CI,7CI,8CI); Butyl cyclohexyl phthalate; Cyclohexyl butyl phthalate; Elastex 50B; NSC 69994
Hazard Statement
Suspected of damaging fertility or the unborn child.
Smiles
CCCCOC(=O)c1ccccc1C(=O)OC2CCCCC2
Molecular Formula
C18 H24 O4
Molecular Weight
304.38
InChI
InChI=1S/C18H24O4/c1-2-3-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-9-5-4-6-10-14/h7-8,11-12,14H,2-6,9-10,13H2,1H3
Additionnal Information
IUPAC name: 1-O-butyl 2-O-cyclohexyl benzene-1,2-dicarboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Butyl cyclohexyl phthalate

Butyl cyclohexyl phthalate is a clear brown slightly viscous liquid with a very mild odor. (NTP, 1992)

CAS Number84-64-0
PubChem CID6779
IUPAC Name1-O-butyl 2-O-cyclohexyl benzene-1,2-dicarboxylate
Molecular FormulaC18H24O4
Molecular Weight304.4
XLogP5.3
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity360
SMILES
CCCCOC(=O)C1=CC=CC=C1C(=O)OC2CCCCC2
InChI
InChI=1S/C18H24O4/c1-2-3-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-9-5-4-6-10-14/h7-8,11-12,14H,2-6,9-10,13H2,1H3
InChIKey
BHKLONWXRPJNAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butyl cyclohexyl phthalate
CAS: 84-64-0
CID: 6779
Formula: C18H24O4
MW: 304.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight304.4
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass304.16745924
Monoisotopic Mass304.16745924
Topological Polar Surface Area52.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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