ChemicalBook--->CAS DataBase List--->554-95-0

554-95-0

554-95-0 Structure

554-95-0 Structure
IdentificationMore
[Name]

Trimesic acid
[CAS]

554-95-0
[Synonyms]

1,3,5-BENZENETRICARBOXYLIC ACID
BENZENE-1,3,5-TRICARBOXYLIC ACID
TRIMESIC ACID
Trimesinic acid
1,3,5-Tricarboxybenzene
5-Carboxyisophthalic acid
Trimesitinic acid
trimesitinicacid
Product: 1.3.5-Benzenetricarboxylic Acid
BENZENETRICARBOXYLIC ACID-(1 3 5)
1,3,5-BENZENETRICARBOXYLIC ACID 99%
1,3,5-Benzenetricarboxylicacid,98%
BENZENE-1,3,5-TRICARBOXYLIC ACID (TRIMESIC ACID)
1,3,5-BENZENETRICARBOXYLIC ACID/TRIMESIC ACID
1,3,5-Benzenetricarboxylic acid ,99%
[EINECS(EC#)]

209-077-7
[Molecular Formula]

C9H6O6
[MDL Number]

MFCD00002517
[Molecular Weight]

210.14
[MOL File]

554-95-0.mol
Chemical PropertiesBack Directory
[Appearance]

off-white powder
[Melting point ]

>300 °C(lit.)
[Boiling point ]

309.65°C (rough estimate)
[density ]

1.4844 (rough estimate)
[vapor pressure ]

0Pa at 20℃
[refractive index ]

1.6000 (estimate)
[Fp ]

328°C
[storage temp. ]

Store below +30°C.
[solubility ]

26.3g/l
[form ]

Powder
[pka]

pK1: 2.12;pK2: 4.10;pK3: 5.18 (25°C)
[color ]

white
[Stability:]

Stable, but may be light sensitive.
[Water Solubility ]

Soluble in water, ethanol and methanol.
[Usage]

is mainly used in the industry of poxy curing agent ,Adhesives and coating material ,Engineering plastic ,Synthetic fiber ,Cross-linking agent for alkyd resin ,Plasticizer ,Pharmaceutical intermediates, Desalination membrane etc.
[Detection Methods]

HPLC,NMR,T
[BRN ]

2053080
[Cosmetics Ingredients Functions]

PLASTICISER
[InChI]

1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
[InChIKey]

QMKYBPDZANOJGF-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cc(cc(c1)C(O)=O)C(O)=O
[LogP]

1.35 at 21.41℃
[CAS DataBase Reference]

554-95-0(CAS DataBase Reference)
[NIST Chemistry Reference]

1,3,5-Benzenetricarboxylic acid(554-95-0)
[EPA Substance Registry System]

554-95-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Autoignition Temperature]

590 °C
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29173980
[Storage Class]

11 - Combustible Solids
[Toxicity]

LD50 orally in Rabbit: 16000 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Oxygen-->Mesitylene
[Preparation Products]

1,3,5-Tris(bromomethyl)benzene-->Trimethyl 1,3,5-benzenetricarboxylate-->Triethyl 1,3,5-benzenetricarboxylate-->1H-Benzimidazole, 2,2',2''-(1,3,5-benzenetriyl)tris--->Methyl 2,4,6-Tris(trifluoromethyl)benzoate-->Benzene (1,3,5-d3)
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Trimesic acid(554-95-0).msds
Hazard InformationBack Directory
[Chemical Properties]

off-white powder
[Uses]

Trimesic acid is mainly used in the industry of poxy curing agent ,Adhesives and coating material ,Engineering plastic ,Synthetic fiber ,Cross-linking agent for alkyd resin ,Plasticizer ,Pharmaceutical intermediates, Desalination membrane etc.
[Definition]

ChEBI: Trimesic acid is a tricarboxylic acid that consists of benzene substituted by carboxy groups at positions 1, 3 and 5. It is a tricarboxylic acid and a member of benzoic acids. It is a conjugate acid of a benzene-1,3,5-tricarboxylate(1-).
[General Description]

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[Flammability and Explosibility]

Notclassified
[Synthesis]

Trimesic acid can be produced by Friedel – Crafts methylation of toluene or xylene with chloromethane in the presence of aluminum chloride.It is also formed by liquid-phase disproportionation of xylene in the presence of aluminum chloride.These reactions can be carried out in the gas phase at high temperature on aluminum silicate catalysts.
[Purification Methods]

Crystallise the acid from water. The trimethyl ester has m 144o (from MeOH or MeOH/H2O). [Beilstein 9 H 978, 9 IV 3747.]
Spectrum DetailBack Directory
[Spectrum Detail]

Trimesic acid(554-95-0)MS
Trimesic acid(554-95-0)1HNMR
Trimesic acid(554-95-0)13CNMR
Trimesic acid(554-95-0)IR1
Trimesic acid(554-95-0)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,3,5-Benzenetricarboxylic acid, 98%(554-95-0)
[Alfa Aesar]

1,3,5-Benzenetricarboxylic acid, 98%(554-95-0)
[Sigma Aldrich]

554-95-0(sigmaaldrich)
[TCI AMERICA]

Trimesic Acid,>98.0%(T)(554-95-0)
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