m-Toluylsure

3-Methylbenzoic acid

HCID 7418CAS 99-04-7

Grundinformationen

Standard-SMILES
Cc1cccc(C(=O)O)c1
InChIKey
GPSDUZXPYCFOSQ-UHFFFAOYSA-N
Summenformel
C8H8O2
Durchschnittliche Molmasse
136,15 g/mol
Monoisotopische Masse
136,05242949

Namen und Bezeichner

Bevorzugter Name
3-Methylbenzoic acid
IUPAC
3-methylbenzoic acid
Lokaler Name
m-Toluylsure
Englischer Name
m-Toluic acid
Summenformel
C8H8O2
Molmasse
136.15

Namen und Synonyme

3-Methylbenzoic acidM-TOLUIC ACID99-04-7m-Toluylic acid3-Toluic acidBenzoic acid, 3-methyl-meta-Toluic acidm-Methylbenzoic acidbeta-Methylbenzoic acidbeta-Bethylbenzoic acidDTXSID10216171UA7K8EEXT
Weitere Namen anzeigen
3-Methylbenzoicm-toluicm-toluicaciMETA-TOLUATEm-Tlouicacidmeta-toluicacid
NSC-2214DTXCID401617CHEBI:10589RefChem:800396202-723-93-Methyl-Benzoic AcidMFCD000025233-Methylbenzoic acid(Flakes or Chunks or Granular)

Datenbank-Bezeichner

CAS
99-04-7
PubChem CID
7418
DTXSID
DTXSID1021617
ChEMBL
CHEMBL67450
ChEBI
CHEBI:10589
UNII
1UA7K8EEXT
EC Number
202-723-9
Nikkaji
J47.804K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,4
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
10

Physikochemische Eigenschaften

Schmelzpunkt
107 · 107-113 °C (lit.)
Siedepunkt
263 °C · 263 °C (lit.)
Dichte
1.054 g/mL · 1.054 g/mL at 25 °C (lit.)
Dampfdruck
0.019 Pa · 0.019Pa at 25℃
Brechungsindex
1.509 · 1.509
Flammpunkt
150 °C · 150 °C

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29163900
RTECS-Nr.
XU1200000
risk_code
22
Toxizität
LD50 orally in Rabbit: 7000 mg/kg

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibungm-toluic acid (MTA) , also known as 3-Methylbenzoic acid or m-Toluate, is a benzoic acid derivative having a floral honey odour. Benzoic acids are organic Compounds containing a benzene ring which bears at least one carboxyl group. Benzoic acid occurs naturally in many plants and its name was also derived from a plant source i.e. Gum benzoin. Although it is used as precursor to plasticizers, preservatives such as sodium benzoate, it also has wide application in many pharmaceutical preparations meant for treatment of fungal skin diseases, topical antiseptics, expectorants, analgesics and decongestants. The benzoic acid derivatives are also very useful due to their bacteriostatic and fragrant properties. MTA is used as intermediate in various chemical reactions, MTA is used as a chemical intermediate in manufacturing of insect repellent and plastic stabilizer in the chemical industry. It is also used in the production of various chemicals like 3-carboxybenzaldehyde, 3-benzoylphenylacetic acid, 3-methylbenzophenone, and N,N-diethyl- 3-methylbenzamide etc.. It is a main component of N,N-diethylm-toluamide, commonly known as DEET, which is first insect repellent that can be applied to skin or clothing and provide protection against mosquitoes and other biting insects.

Verwendenm-Toluic acid is used as a reagent in the preparation of hybrid molecules containing oxadiazole and thiadiazole bearing Schiff base moiety as it has antitumor activities.

Ergänzende Hinweise

DefinitionChEBI: M-toluic acid is a methylbenzoic acid carrying a methyl substituent at position 3. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a m-toluate.

Zugehörige Reaktionen

76

Verknüpfte Notizen

Wird geladen…