Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16946
- Core Entity Id
- 22004
- Source Entity Count
- 1
- Preferred Name
- Dibp
- Name En
- Pubchem Id
- 6782
- Smiles Canonical
- CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
- Molecular Formula
- C16H22O4
- Molecular Weight
- 278.3480
- Inchikey
- MGWAVDBGNNKXQV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
- Isomeric Smiles
- CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
- Cas Id
- 84-69-5
- Ob Score
- 49.6340
- Mol Logp
- 3.3122
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.7490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dibp
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dibp
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dibp
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
84-69-5
Role
alias
Source
HERB_v2
Preferred
No
Name
84-69-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
DIISOBUTYL PHTHALATE
Role
alias
Source
HERB_v2
Preferred
No
Name
Di-iso-butyl phthalate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexaplas M/1B
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexaplas M/1B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isobutyl phthalate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isobutyl phthalate
Role
alias
Source
HERB_v2
Preferred
No
Name
Kodaflex DIBP
Role
alias
Source
HERB_v2
Preferred
No
Name
Kodaflex DIBP
Role
alias
Source
itcmdb_public
Preferred
No
Name
Palatinol IC
Role
alias
Source
HERB_v2
Preferred
No
Name
Palatinol IC
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phthalic Acid Diisobutyl Ester
Role
alias
Source
HERB_v2
Preferred
No
Name
Phthalic Acid Diisobutyl Ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Di-Isobutyl Phthalate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
diisobutyl phthalate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(C4-C13) Branched alkyl alcohols, phthalic anhydride ester
Role
alias
Source
TCMBank
Preferred
No
Name
1,2-Benzenedicarboxylic acid, C4-13-branched alkyl esters
Role
alias
Source
TCMBank
Preferred
No
Name
1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester
Role
alias
Source
TCMBank
Preferred
No
Name
152641_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
4-09-00-03177 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
68951-39-3
Role
alias
Source
TCMBank
Preferred
No
Name
68955-80-6
Role
alias
Source
TCMBank
Preferred
No
Name
80130_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-04278
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-04278 (USDA)
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 2054802
Role
alias
Source
TCMBank
Preferred
No
Name
C15205
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 6193
Role
alias
Source
TCMBank
Preferred
No
Name
Di(i-butyl)phthalate
Role
alias
Source
TCMBank
Preferred
No
Name
Diisobutylester kyseliny ftalove [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 201-553-2
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 273-157-8
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 5247
Role
alias
Source
TCMBank
Preferred
No
Name
Hatcol DIBP
Role
alias
Source
TCMBank
Preferred
No
Name
MLS000516002
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091360-01
Role
alias
Source
TCMBank
Preferred
No
Name
NSC15316
Role
alias
Source
TCMBank
Preferred
No
Name
Phthalic acid, diisobutyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000112470
Role
alias
Source
TCMBank
Preferred
No
Name
ST5405544
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: 1Y1&1OVR BVO1Y1&1
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00388318
Role
alias
Source
TCMBank
Preferred
No
Name
benzene-1,2-dicarboxylic acid diisobutyl ester
Role
alias
Source
TCMBank
Preferred
No
Name
bis(2-methylpropyl) benzene-1,2-dicarboxylate
Role
alias
Source
TCMBank
Preferred
No
Name
di-isobutyl phthalate
Role
alias
Source
TCMBank
Preferred
No
Name
di-l-butyl phthalate (DIBP)
Role
alias
Source
TCMBank
Preferred
No
Name
diisobutyl benzene-1,2-dicarboxylate
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
84-69-5DIISOBUTYL PHTHALATEDi-iso-butyl phthalateHexaplas M/1BIsobutyl phthalateKodaflex DIBPPalatinol ICPhthalic Acid Diisobutyl EsterDi-Isobutyl Phthalate(C4-C13) Branched alkyl alcohols, phthalic anhydride ester1,2-Benzenedicarboxylic acid, C4-13-branched alkyl esters1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester152641_ALDRICH4-09-00-03177 (Beilstein Handbook Reference)68951-39-368955-80-680130_FLUKAAI3-04278AI3-04278 (USDA)BRN 2054802C15205CCRIS 6193Di(i-butyl)phthalateDiisobutylester kyseliny ftalove [Czech]EINECS 201-553-2EINECS 273-157-8HSDB 5247Hatcol DIBPMLS000516002NCGC00091360-01NSC15316Phthalic acid, diisobutyl esterSMR000112470ST5405544WLN: 1Y1&1OVR BVO1Y1&1ZINC00388318benzene-1,2-dicarboxylic acid diisobutyl esterbis(2-methylpropyl) benzene-1,2-dicarboxylatedi-l-butyl phthalate (DIBP)diisobutyl benzene-1,2-dicarboxylate
Cross References
Trusted external identifiers retained for this final record.
Cas
84-69-5
Herb
HBIN023623HBIN000724HBIN024022HBIN030526HBIN039656
Npass
NPC214067
Tcmid
24519335053350638570403524035341210
Tcmsp
MOL000057
Sym Map
SMIT02738SMIT18639
Tcm Id
4860
Pub Chem
6782
Tcmbank
TCMBANKIN059272
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
Mol Wt
278.348
Cas Id
84-69-5
Smiles
CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
Mol Log P
3.312200000000002
Version
v1,v2
In Ch Ikey
MGWAVDBGNNKXQV-UHFFFAOYSA-N
Ob Score
49.63449.6340827
Suppress
0
Num Hdonors
0
Drug Likeness
0.749
Num Hacceptors
4
Isomeric Smiles
CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
Molecule Weight
278.38
Canonical Smiles
CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
Herb Alias Names
DIISOBUTYL PHTHALATE84-69-5Palatinol ICPhthalic Acid Diisobutyl EsterIsobutyl phthalateHexaplas M/1BKodaflex DIBPDi-iso-butyl phthalatePhthalic acid, diisobutyl ester
Molecular Weight
278.34 g/mol
Molecular Formula
C16H22O4- C6H4[CO2CH2CH(CH3)2]2
Molecular Formula
C16H22O4
Num Rotatable Bonds
6