Di-p-tolylacetic acid

Modify Date: 2025-08-26 11:58:31

Di-p-tolylacetic acid Structure
Di-p-tolylacetic acid structure
Common Name Di-p-tolylacetic acid
CAS Number 20809-78-3 Molecular Weight 240.29700
Density 1.126g/cm3 Boiling Point 332.1ºC at 760 mmHg
Molecular Formula C16H16O2 Melting Point N/A
MSDS N/A Flash Point 168.8ºC

 Names

Name 2,2-bis(4-methylphenyl)acetic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.126g/cm3
Boiling Point 332.1ºC at 760 mmHg
Molecular Formula C16H16O2
Molecular Weight 240.29700
Flash Point 168.8ºC
Exact Mass 240.11500
PSA 37.30000
LogP 3.51990
Vapour Pressure 5.96E-05mmHg at 25°C
Index of Refraction 1.584
InChIKey DRVBWVSGMCHHOU-UHFFFAOYSA-N
SMILES Cc1ccc(C(C(=O)O)c2ccc(C)cc2)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF5860000
CHEMICAL NAME :
Acetic acid, bis(p-tolyl)-
CAS REGISTRY NUMBER :
20809-78-3
BEILSTEIN REFERENCE NO. :
2051315
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C16-H16-O2
MOLECULAR WEIGHT :
240.32
WISWESSER LINE NOTATION :
1R DYVQR D1

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 :
1200 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 73,128,1946
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04536

 Safety Information

HS Code 2916399090

 Synthetic Route

 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%

 Di-p-tolylacetic acidBioassay

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Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
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: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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 Synonyms

Acetic acid,di-p-tolyl
ACETIC ACID,BIS(p-TOLYL)
Di-p-tolyl-essigsaeure
Bis(p-tolyl)-acetic acid
di(4-methylphenyl)-acetic acid
Di-p-tolylacetic acid
2,2-Bis(p-tolyl) acetic acid
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