1-(p-Tolyl)-3-adamantanecarboxylic acid

Modify Date: 2025-08-25 18:24:35

1-(p-Tolyl)-3-adamantanecarboxylic acid Structure
1-(p-Tolyl)-3-adamantanecarboxylic acid structure
Common Name 1-(p-Tolyl)-3-adamantanecarboxylic acid
CAS Number 56531-69-2 Molecular Weight 270.366
Density 1.2±0.1 g/cm3 Boiling Point 424.3±24.0 °C at 760 mmHg
Molecular Formula C18H22O2 Melting Point N/A
MSDS N/A Flash Point 197.4±17.6 °C

 Names

Name 3-(4-Methylphenyl)adamantane-1-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 424.3±24.0 °C at 760 mmHg
Molecular Formula C18H22O2
Molecular Weight 270.366
Flash Point 197.4±17.6 °C
Exact Mass 270.161987
PSA 37.30000
LogP 4.49
Vapour Pressure 0.0±1.1 mmHg at 25°C
Index of Refraction 1.615
InChIKey UWPMIBVQZDSYNA-UHFFFAOYSA-N
SMILES Cc1ccc(C23CC4CC(CC(C(=O)O)(C4)C2)C3)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AU4454500
CHEMICAL NAME :
3-Adamantanecarboxylic acid, 1-(p-tolyl)-
CAS REGISTRY NUMBER :
56531-69-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H22-O2
MOLECULAR WEIGHT :
270.40
WISWESSER LINE NOTATION :
L 66 B6/B-H/DI A B- C 1B ITJ AVQ CR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
610 mg/kg
TOXIC EFFECTS :
Behavioral - anticonvulsant
REFERENCE :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 43,73,1980

 Safety Information

HS Code 2916399090

 Precursor & DownStream

Precursor  2

DownStream  0

 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%

 1-(p-Tolyl)-3-adamantanecarboxylic 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: Fluorescence-based counterscreen assay for HCV NS3 helicase inhibitors of a ChemBridg...
Source: 1102
Target: N/A
External Id: 20130627FPNS3INTERFERECB
Name: Fluorescence polarization based primary biochemical high throughput screening assay o...
Source: 1102
Target: NS3 [Hepatitis C virus]
External Id: 20130624FPNS3DACB
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

1-(p-Tolyl)-3-adamantanecarboxylic acid
1-(p-tolyl)-3-adamantanecarboxylicaci
(1s,3r,5R,7S)-3-(4-Methylphenyl)-1-adamantanecarboxylic acid
tricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid,3-(4-methy
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