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780-11-0

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Basic Information
CAS No.: 780-11-0
Name: m-tert-butylphenyl methylcarbamate
Molecular Structure:
Molecular Structure of 780-11-0 (m-tert-butylphenyl methylcarbamate)
Formula: C12H17 N O2
Molecular Weight: 207.272
Synonyms: Carbamicacid, methyl-, m-tert-butylphenyl ester (6CI,7CI,8CI); Phenol,3-(1,1-dimethylethyl)-, methylcarbamate (9CI); Phenol, m-tert-butyl-,methylcarbamate (6CI); 3-tert-Butylphenyl methylcarbamate; Knockbal; RE 5030;Terbam; m-t-Butylphenyl methylcarbamate; m-tert-Butylphenyl methylcarbamate
Density: 1.023g/cm3
Boiling Point: 275°C at 760 mmHg
Flash Point: 120.1°C
Solubility: <0.5mg/L(30 oC)
Safety: Moderately toxic by ingestion and skin contact. When heated to decomposition it emits toxic vapors of NOx.
PSA: 38.33000
LogP: 3.09320
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Chemistry

Molecular Structure of m-tert-Butylphenyl methylcarbamate (780-11-0):

EINECS of m-tert-Butylphenyl methylcarbamate (780-11-0): 212-303-7
IUPAC Name: (3-tert-Butylphenyl) N-methylcarbamate 
Molecular Formula: C12H17NO2
Molecular Weight: 207.268880 g/mol
XLogP3: 2.9
H-Bond Donor: 1
H-Bond Acceptor: 2
Canonical SMILES: CC(C)(C)C1=CC(=CC=C1)OC(=O)NC
InChI: InChI=1S/C12H17NO2/c1-12(2,3)9-6-5-7-10(8-9)15-11(14)13-4/h5-8H,1-4H3,(H,13,14)
InChIKey: FSJYRLHKLVGCNH-UHFFFAOYSA-N
Index of Refraction: 1.499
Molar Refractivity: 59.57 cm3
Molar Volume: 202.5 cm3
Surface Tension: 32.8 dyne/cm
Density: 1.023 g/cm3
Flash Point: 120.1 °C
Enthalpy of Vaporization: 51.34 kJ/mol
Boiling Point: 275 °C at 760 mmHg
Vapour Pressure: 0.00522 mmHg at 25 °C
Water Solubility: 126.3 mg/L at 25 °C
BRN: 1876800

Toxicity Data With Reference

1.    

orl-mus LD50:470 mg/kg

     85ARAE    Agricultural Chemicals. 1 (1977),44.
2.    

skn-mus LD50:2660 mg/kg

     JPIFAN    Japan Pesticide Information.(4),(1970),28.
3.    

orl-rbt LD50:505 mg/kg

     JPIFAN    Japan Pesticide Information.(4),(1970),28.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion and skin contact. When heated to decomposition it emits toxic vapors of NOx.

Specification

  m-tert-Butylphenyl methylcarbamate (780-11-0) is also called for 3-(1,1-Dimethylethyl)phenol methylcarbamate ; 3-tert-Butylphenyl N-methylcarbamate ; 4-06-00-03295 (Beilstein Handbook Reference) ; H-22 ; Knockbal ; RE 5030 ; TBPMC ; Terbam ; Carbamic acid, methyl-, 3-tert-butylphenyl ester ; Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate) ; Phenol, 3-(1,1-dimethylethyl)-, methylcarbamate .