NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1,2-bis(3,5,5-trimethylhexyl) benzene-1,2-dicarboxylate
|
|
|
IUPAC Traditional name
|
1,2-bis(3,5,5-trimethylhexyl) phthalate
|
|
|
Synonyms
|
Diisononyl phthalate
|
PHTHALIC ACID bis(3,5,5-TRI-METHYLHEXYL) ESTER
|
Bis(3,5,5-trimethylhexyl) phthalate
|
|
|
CAS Number
|
|
EC Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
2
|
H Donor
|
0
|
LogD (pH = 5.5)
|
8.154443
|
LogD (pH = 7.4)
|
8.154443
|
Log P
|
8.154443
|
Molar Refractivity
|
123.4044 cm3
|
Polarizability
|
48.639175 Å3
|
Polar Surface Area
|
52.6 Å2
|
Rotatable Bonds
|
14
|
Lipinski's Rule of Five
|
false
|
DETAILS
DETAILS
MP Biomedicals
PATENTS
PATENTS
PubChem Patent
Google Patent