o-Toluic acid, alpha-(p-methoxybenzoyl)-

Modify Date: 2025-08-27 10:38:36

o-Toluic acid, alpha-(p-methoxybenzoyl)- Structure
o-Toluic acid, alpha-(p-methoxybenzoyl)- structure
Common Name o-Toluic acid, alpha-(p-methoxybenzoyl)-
CAS Number 33533-90-3 Molecular Weight 270.28000
Density 1.238g/cm3 Boiling Point 478.2ºC at 760 mmHg
Molecular Formula C16H14O4 Melting Point N/A
MSDS N/A Flash Point 180.1ºC

 Names

Name 2-[2-(4-methoxyphenyl)-2-oxoethyl]benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.238g/cm3
Boiling Point 478.2ºC at 760 mmHg
Molecular Formula C16H14O4
Molecular Weight 270.28000
Flash Point 180.1ºC
Exact Mass 270.08900
PSA 63.60000
LogP 2.81880
Index of Refraction 1.597
InChIKey DPXWHZUTDZONDB-UHFFFAOYSA-N
SMILES COc1ccc(C(=O)Cc2ccccc2C(=O)O)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XU2050000
CHEMICAL NAME :
o-Toluic acid, alpha-(p-methoxybenzoyl)-
CAS REGISTRY NUMBER :
33533-90-3
BEILSTEIN REFERENCE NO. :
2698639
LAST UPDATED :
199707
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H14-O4
MOLECULAR WEIGHT :
270.30
WISWESSER LINE NOTATION :
QVR B1VR DO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 9,397,1974

 Safety Information

HS Code 2918990090

 Synthetic Route

~92%

o-Toluic acid, alpha-(p-methoxybenzoyl)- Structure

o-Toluic acid, ...

CAS#:33533-90-3

Literature: Ahmad, Hafiz B.; Rama, Nasim H.; Hussain, Mazhar; Hussain, Muhammad T.; Qasim, Malik M.; Hameed, Shahid; Malana, Muhammad A.; Malik, Abdul Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003 , vol. 42, # 3 p. 611 - 615

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o-Toluic acid, alpha-(p-methoxybenzoyl)- Structure

o-Toluic acid, ...

CAS#:33533-90-3

Literature: Ahmad, Hafiz B.; Rama, Nasim H.; Hussain, Mazhar; Hussain, Muhammad T.; Qasim, Malik M.; Hameed, Shahid; Malana, Muhammad A.; Malik, Abdul Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003 , vol. 42, # 3 p. 611 - 615

~%

o-Toluic acid, alpha-(p-methoxybenzoyl)- Structure

o-Toluic acid, ...

CAS#:33533-90-3

Literature: Ahmad, Hafiz B.; Rama, Nasim H.; Hussain, Mazhar; Hussain, Muhammad T.; Qasim, Malik M.; Hameed, Shahid; Malana, Muhammad A.; Malik, Abdul Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003 , vol. 42, # 3 p. 611 - 615

~%

o-Toluic acid, alpha-(p-methoxybenzoyl)- Structure

o-Toluic acid, ...

CAS#:33533-90-3

Literature: Horeau; Jacques Bulletin de la Societe Chimique de France, 1948 , p. 53,58

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o-Toluic acid, alpha-(p-methoxybenzoyl)- Structure

o-Toluic acid, ...

CAS#:33533-90-3

Literature: Akhtar, Naeem; Ahmad, Hafiz Badaruddin; Hussain, Mazhar Asian Journal of Chemistry, 2012 , vol. 24, # 5 p. 2054 - 2056

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o-Toluic acid, alpha-(p-methoxybenzoyl)- Structure

o-Toluic acid, ...

CAS#:33533-90-3

Literature: Bowden, Keith; Byrne, Jane M. Journal of the Chemical Society. Perkin Transactions 2, 1996 , vol. 10, p. 2203 - 2206

~%

o-Toluic acid, alpha-(p-methoxybenzoyl)- Structure

o-Toluic acid, ...

CAS#:33533-90-3

Literature: Horeau; Jacques Bulletin de la Societe Chimique de France, 1948 , p. 53,58

~%

Detail
Literature: Horeau; Jacques Bulletin de la Societe Chimique de France, 1948 , p. 53,58

 Customs

HS Code 2918990090
Summary 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

2-<4-Methoxy-phenacyl>-benzoesaeure
F 1271
4-Methoxydesoxybenzoin-2'-carbonsaeure
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