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Plastic Additive 1

CAT: 1596-AR-P02237-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P02237-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32509-66-3
Synonyms
Ethane-1,2-diyl bis (3,3-bis (3- (tert-butyl) -4-hydroxyphenyl) butanoate) ; Ethylene 1,2-bis (3,3-[3-Tert-butyl-4-hydroxyphenyl] Butyrate; Ethylene Glycol bis[3,3-bis (3-tert-butyl-4-hydroxyphenyl) butyrate]; Bis[3,3-bis (4'-hydroxy-3'-tert-butylphenyl) butanoic acid] Ethylene Glycol Ester; 1,2-Ethanediyl bis[3,3-bis (3-tert-butyl-4-hydroxyphenyl) butanoate]; 3- (1,1-dimethylethyl) -?-[3- (1,1-dimethylethyl) -4-hydroxyphenyl]-4-hydroxy-?-methyl-, 1,1'- (1,2-ethanediyl) Ester Benzenepropanoic acid
Molecular Formula
C50H66O8
Molecular Weight
795.08
API Name
Plastic Additive

Chemical Information

Butyric acid, 3,3-bis(3-tert-butyl-4-hydroxyphenyl)ethylene ester
CAS Number32509-66-3
PubChem CID122891
IUPAC Name2-[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoyloxy]ethyl 3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate
Molecular FormulaC50H66O8
Molecular Weight795.1
XLogP13.1
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count58
Formal Charge0
Complexity1170
SMILES
CC(C)(C)C1=C(C=CC(=C1)C(C)(CC(=O)OCCOC(=O)CC(C)(C2=CC(=C(C=C2)O)C(C)(C)C)C3=CC(=C(C=C3)O)C(C)(C)C)C4=CC(=C(C=C4)O)C(C)(C)C)O
InChI
InChI=1S/C50H66O8/c1-45(2,3)35-25-31(15-19-39(35)51)49(13,32-16-20-40(52)36(26-32)46(4,5)6)29-43(55)57-23-24-58-44(56)30-50(14,33-17-21-41(53)37(27-33)47(7,8)9)34-18-22-42(54)38(28-34)48(10,11)12/h15-22,25-28,51-54H,23-24,29-30H2,1-14H3
InChIKey
JOWXNCPELQZFHF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butyric acid, 3,3-bis(3-tert-butyl-4-hydroxyphenyl)ethylene ester
CAS: 32509-66-3
CID: 122891
Formula: C50H66O8
MW: 795.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight795.1
XLogP313.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass794.47576906
Monoisotopic Mass794.47576906
Topological Polar Surface Area134 Ų
Heavy Atom Count58
Formal Charge0
Complexity1170
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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