Grundinformationen
- Standard-SMILES
CSc1ccc(O)cc1C- InChIKey
VKALYYFVKBXHTF-UHFFFAOYSA-N- Summenformel
- C8H10OS
- Durchschnittliche Molmasse
- 154,23 g/mol
- Monoisotopische Masse
- 154,04523611
Namen und Bezeichner
- Bevorzugter Name
- 3-Methyl-4-(methylthio)phenol
- IUPAC
- 3-methyl-4-methylsulfanylphenol
- Lokaler Name
- 4-(Methylthio)-m-kresol
- Englischer Name
- 3-Methyl-4-(methylthio)phenol
- Summenformel
- C8H10OS
- Molmasse
- 154.23
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
3120-74-9- PubChem CID
- 18391
- DTXSID
DTXSID0051996- ChEMBL
CHEMBL3560322- ChEBI
CHEBI:38681- UNII
- 304RF69F8F
- EC Number
- 221-496-7、467-290-2
- Nikkaji
- J48.511J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 45,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 105
Physikochemische Eigenschaften
- Schmelzpunkt
- 56 · 56-60 °C
- Siedepunkt
- 151 °C · 151 °C / 15mmHg
- Dichte
- 1.1125 · 1.1125 (rough estimate)
- Brechungsindex
- 1.53 · 1.5300 (estimate)
- storage temp.
- Room Temperature
- Löslichkeit
- Chloroform, Methanol
- Aggregatzustand
- Solid
- pka
- 9.9 · 9.90±0.18(Predicted)
- Farbe
- Off-White to Light Beige
- BRN
- 1210322 · 1210322
- InChI
- 1S/C8H10OS/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3
- InChIKey
- VKALYYFVKBXHTF-UHFFFAOYSA-N
- SMILES
- CSc1ccc(O)cc1C
- CAS Datenbank
- 3120 · 3120-74-9(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · 4-(Methylthio)-m-cresol (3120-74-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (86.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Phenol, 3-methyl-4-(methylthio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 3-methyl-4-(methylthio)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 16-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11712
Status: Active Update: 18-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18920
Hazard Classes and Categories
Skin Irrit. 2 (100%);Eye Dam. 1 (86.7%);Eye Irrit. 2 (13.3%);STOT SE 3 (95.6%)
Flam. Liq. 3 (100%);Acute Tox. 4 (100%);Skin Irrit. 2 (100%);Skin Sens. 1 (100%)
Acute toxicity (Dermal) - Category 3;Skin corrosion/irritation - Category 2;Serious eye damage/eye irritation - Category 2A;Hazardous to the aquatic environment (Acute) - Category 3;Hazardous to the aquatic environment (Long-term) - Category 3
Regulatorische Informationen
Regulatory Information
Phenol, 3-methyl-4-(methylthio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 3-methyl-4-(methylthio)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 16-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11712
Status: Active Update: 18-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18920
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3335
- hs_code
- 2930909899
- RTECS-Nr.
- GP2225000
- risk_code
- 22-37/38-41
- hazard_code
- Xn,Xi
- safety_code
- 26-36/39
- hazard_class
- IRRITANT, STENCH
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden3-Methyl-4-(methylthio)phenol is a metabolite of Fenamiphos (F245700), a Systemic broad spectrum nematocide with anticholinesterase activity. Nematocide.
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