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2359-09-3

2359-09-3 Structure

2359-09-3 Structure
IdentificationMore
[Name]

5-TERT-BUTYLISOPHTHALIC ACID
[CAS]

2359-09-3
[Synonyms]

3-TERT-BUTYL-5-CARBOXYLIC ACID BENZOIC ACID
5-T-BUTYL-1,3-BENZENE-DICARBOXYLIC ACID
5-T-BUTYLISOPHTHALIC ACID
5-TERT-BUTYLISOPHTHALIC ACID
1,3-Benzenedicarboxylicacid,5-(1,1-dimethylethyl)-
3-Benzenedicarboxylicacid,5-(1,1-dimethylethyl)-1
5-(1,1-dimethylethyl)-3-benzenedicarboxylicacid
5-tert-butyl-1,3-benzenedicarboxylicacid
5-TERT-BUTYLISOPHTHALIC ACID5-TERT-BUTYLPHENYL-1,3-DICARBOXYLIC ACID
5-(1,1-Dimethylethyl)-1,3-benzenedicarboxylic acid
5-tert-Butyl-m-phthalic acid
[EINECS(EC#)]

219-100-2
[Molecular Formula]

C12H14O4
[MDL Number]

MFCD00067047
[Molecular Weight]

222.24
[MOL File]

2359-09-3.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO VERY SLIGHTLY YELLOW FINE CRYST. POWDER
[Melting point ]

>300 °C(lit.)
[Boiling point ]

400.0±42.0 °C(Predicted)
[density ]

1.226±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

3.63±0.10(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
[InChIKey]

BJLUCDZIWWSFIB-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)=CC(C(C)(C)C)=CC(C(O)=O)=C1
[CAS DataBase Reference]

2359-09-3(CAS DataBase Reference)
[EPA Substance Registry System]

5-tert-Butylisophthalic acid (2359-09-3)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HS Code ]

29173990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO VERY SLIGHTLY YELLOW FINE CRYST. POWDER
Spectrum DetailBack Directory
[Spectrum Detail]

5-TERT-BUTYLISOPHTHALIC ACID(2359-09-3)MS
5-TERT-BUTYLISOPHTHALIC ACID(2359-09-3)1HNMR
5-TERT-BUTYLISOPHTHALIC ACID(2359-09-3)IR1
5-TERT-BUTYLISOPHTHALIC ACID(2359-09-3)IR2
5-TERT-BUTYLISOPHTHALIC ACID(2359-09-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2359-09-3(sigmaaldrich)
[TCI AMERICA]

5-tert-Butylisophthalic Acid,>98.0%(T)(2359-09-3)
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