1,4-Bis(1-methylethyl) 1,4-benzenedicarboxylate

HCID 201631CAS 6422-84-0
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Basic information

Standard SMILES
CC(C)OC(=O)c1ccc(C(=O)OC(C)C)cc1
InChIKey
HWUDSKSILZNHRX-UHFFFAOYSA-N
Molecular formula
C14H18O4
Average molar mass
250.29 g/mol
Monoisotopic mass
250.12050906

Names & identifiers

Preferred name
1,4-Bis(1-methylethyl) 1,4-benzenedicarboxylate
IUPAC
dipropan-2-yl benzene-1,4-dicarboxylate
English name
Terephthalic acid diisopropyl ester
Molecular formula
C14H18O4
Molecular weight
250.29

Names & synonyms

6422-84-0Terephthalic acid, diisopropyl esterDTXSID002144281,4-Bis(1-methylethyl) 1,4-benzenedicarboxylateRefChem:1053193DTXCID00136919Diisopropyl terephthalatedipropan-2-yl benzene-1,4-dicarboxylateTEREPHTHALIC ACID DIISOPROPYL ESTER1,4-Benzenedicarboxylic acid, bis(1-methylethyl) esterMFCD016827201,4-bis(propan-2-yl) benzene-1,4-dicarboxylate
Show more names
parabenzenedimacetic acidisopropyl ester1,4-Benzenedicarboxylic acid, 1,4-bis(1-methylethyl) ester
BRN 1981894diisopropylterephthalate1-09-00-00375 (Beilstein Handbook Reference)SCHEMBL7018321,4-Benzenedicarboxylicacid,bis(1-methylethyl)esterSCHEMBL69529941,4-bis(1-methylethyl) esterHWUDSKSILZNHRX-UHFFFAOYSA-N

Database identifiers

CAS
6422-84-0
PubChem CID
201631
DTXSID
DTXSID00214428
Nikkaji
J61.328B

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
18

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

storage temp.
2 · 2-8°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
264 · P264-P270-P301+P312-P330

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330

Chemistry & industry

Suppliers19 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
常州金和生物科技有限公司18796930758 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]

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