2,4,5-Trimethylbenzoic Acid

Modify Date: 2024-01-11 17:48:46

2,4,5-Trimethylbenzoic Acid Structure
2,4,5-Trimethylbenzoic Acid structure
Common Name 2,4,5-Trimethylbenzoic Acid
CAS Number 528-90-5 Molecular Weight 164.201
Density 1.1±0.1 g/cm3 Boiling Point 303.7±11.0 °C at 760 mmHg
Molecular Formula C10H12O2 Melting Point 150-153 °C(lit.)
MSDS Chinese USA Flash Point 140.8±13.9 °C

 Names

Name 2,4,5-Trimethylbenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 303.7±11.0 °C at 760 mmHg
Melting Point 150-153 °C(lit.)
Molecular Formula C10H12O2
Molecular Weight 164.201
Flash Point 140.8±13.9 °C
Exact Mass 164.083725
PSA 37.30000
LogP 3.28
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.545

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DI0887000
CHEMICAL NAME :
Benzoic acid, 2,4,5-trimethyl-
CAS REGISTRY NUMBER :
528-90-5
BEILSTEIN REFERENCE NO. :
2084752
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H12-O2
MOLECULAR WEIGHT :
164.22
WISWESSER LINE NOTATION :
QVR B1 D1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
316 mg/kg
TOXIC EFFECTS :
Behavioral - rigidity (including catalepsy) Behavioral - muscle contraction or spasticity
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1020,1968

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS DI0887000

 Articles3

More Articles
Theoretical study on molecular structure and vibrational analysis included FT-IR, FT-Raman and UV techniques of 2,4,5-trimethylbenzoic acid (monomer and dimer structures).

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 134 , 598-607, (2015)

Theoretical study on the structural and vibrational analysis of monomer and dimer structures of 2,4,5-trimethylbenzoic acid (2,4,5-TMBA, C₁₀H₁₂O₂) were presented. The geometry of the molecule was full...

Pyrazines and related compounds; a new synthesis of hydroxypyrazines.

J. Am. Chem. Soc. 71(1) , 78-81, (1949)

2, 4, 5-Trimethylbenzoic Acid. Barcon A, et al.

Acta Crystallogr. C Struct. Chem. 53(12) , 1842-1845., (1997)

 Synonyms

Benzoic acid, 2,4,5-trimethyl-
Benzoic acid,2,4,5-trimethyl
trimethyl benzoic acid
2,4,5-TRIMETHYL BENZOIC ACID
2,4,5-Trimethyl-benzoesaeure
MFCD00075863
2,4,5-Trimethylbenzoic acid
2.4.5-Trimethyl-benzol-carbonsaeure-(1)
2,3-DIHYDRO-5,6-DIMETHYL-2-(1-METHYLETHYL)-PYRAZINE
Durylic acid
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