Benzoic acid,2,3,5,6-tetramethyl

Modify Date: 2026-07-02 00:02:47

Benzoic acid,2,3,5,6-tetramethyl Structure
Benzoic acid,2,3,5,6-tetramethyl structure
 Common Name Benzoic acid,2,3,5,6-tetramethyl
CAS Number 2604-45-7 Molecular Weight 178.22800
Density 1.066g/cm3 Boiling Point 310ºC at 760mmHg
Molecular Formula C11H14O2 Melting Point 178-181ºC(lit.)
MSDS USA Flash Point 145.5ºC

 Names

Name 2,3,5,6-Tetramethylbenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.066g/cm3
Boiling Point 310ºC at 760mmHg
Melting Point 178-181ºC(lit.)
Molecular Formula C11H14O2
Molecular Weight 178.22800
Flash Point 145.5ºC
Exact Mass 178.09900
PSA 37.30000
LogP 2.61840
Vapour Pressure 0.000266mmHg at 25°C
Index of Refraction 1.54
InChIKey STIDRZRESMTQBD-UHFFFAOYSA-N
SMILES Cc1cc(C)c(C)c(C(=O)O)c1C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH6835100
CHEMICAL NAME :
Benzoic acid, 2,3,5,6-tetramethyl-
CAS REGISTRY NUMBER :
2604-45-7
BEILSTEIN REFERENCE NO. :
2328778
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H14-O2
MOLECULAR WEIGHT :
178.25
WISWESSER LINE NOTATION :
QVR B1 C1 E1 F1

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 :
750 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
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS DH6835100
HS Code 2916399090

 Synthetic Route

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Benzoic acid,2,3,5,6-tetramethyl Structure

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Literature: Fuson; Kelton Journal of the American Chemical Society, 1941 , vol. 63, p. 1500 Full Text View citing articles Show Details Coops et al. Recueil des Travaux Chimiques des Pays-Bas, 1940 , vol. 59, p. 1109,1111 Full Text Show Details Weizmann Journal of the American Chemical Society, 1948 , vol. 70, p. 2342
phosgene structure

phosgene

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1,2,4,5-Tetramethylbenzene structure

1,2,4,5-Tetrame...

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Benzoic acid,2,3,5,6-tetramethyl Structure

Benzoic acid,2,...

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Literature: Jacobsen Chemische Berichte, 1889 , vol. 22, p. 1217
Carbamic chloride structure

Carbamic chloride

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1,2,4,5-Tetramethylbenzene structure

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Benzoic acid,2,3,5,6-tetramethyl Structure

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Literature: Gattermann Chemische Berichte, 1899 , vol. 32, p. 1119 Justus Liebigs Annalen der Chemie, 1888 , vol. 244, p. 55
tetranitromethane structure

tetranitromethane

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1,2,4,5-Tetramethylbenzene structure

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2,4,5-trimethylbenzaldehyde structure

2,4,5-trimethyl...

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1,2,4,5-tetramethyl-3-nitro-benzene structure

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Literature: Masnovi, J. M.; Sankararaman, S.; Kochi, J. K. Journal of the American Chemical Society, 1989 , vol. 111, # 6 p. 2263 - 2276
2-(2.4.6-trimethyl-phenyl)-1-(2.3.5.6-tetramethyl-phenyl)-propen-(1)-ol-(1) structure

2-(2.4.6-trimet...

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Acetone structure

Acetone

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Phenol,2,3,5,6-tetramethyl structure

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Acetomesitylene structure

Acetomesitylene

CAS#:1667-01-2

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Literature: Fuson et al. Journal of the American Chemical Society, 1942 , vol. 64, p. 2886,2887

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Benzoic acid,2,3,5,6-tetramethylBioassay

View more

Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
Total 8, Current Page 1 of 1
1

 Synonyms

BENZOIC ACID,2,3,5,6-TETRAMETHYL
1.2.4.5-Tetramethyl-benzol-carbonsaeure-(3)
2,3,5,6-tetramethyl-benzoic acid
2,3,4,5-TETRAHYDRO-BENZO[C]AZEPIN-1-ONE
Durol-eso-carbonsaeure
EINECS 220-015-8
2,3,5,6-Tetramethyl-benzoesaeure
MFCD00013981
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