2,3,5-trimethylphenyl N-methylcarbamate

• ChemBase ID: 158478
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: Cc1cc(c(c(c1)OC(=O)NC)C)C
• Canonical SMILES: CNC(=O)Oc1cc(C)cc(c1C)C
• InChI: InChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)
• InChIKey: NYOKZHDTNBDPOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-trimethylphenyl N-methylcarbamate
• IUPAC Traditional name: 2,3,5-trimethylphenyl N-methylcarbamate
• Synonyms: 2,3,5-Trimethacarb; 2,3,5-三甲威

Database IDs

• CAS Number: 2655-15-4
• MDL Number: MFCD00155446
• Beilstein Number: 2331082
• PubChem SID: 162252614; 24863574
• PubChem CID: 25550

CALCULATED PROPERTIES

• Acid pKa: 14.771273
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0109015
• LogD (pH = 7.4): 3.0109015
• Log P: 3.0109015
• Molar Refractivity: 55.8874 cm^3
• Polarizability: 21.182018 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >100 °C; >212 °F

Safety Information

• RTECS: FC8405000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-36
• Safety Statements: 26
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H319
• GHS Precautionary statements: P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C11H15NO2

DETAILS

Sigma Aldrich - 37874

Legal Information
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