Molecule structure of Sodium cresolate (CAS NO.34689-46-8) :
IUPAC Name: sodium 2-methylphenolate
Molecular Weight: 130.11965 g/mol
Molecular Formula: C7H7NaO
Boiling Point: 191 °C at 760 mmHg
Flash Point: 81.1 °C
Enthalpy of Vaporization: 44.47 kJ/mol
Vapour Pressure: 0.379 mmHg at 25°C
H-Bond Acceptor: 1
Exact Mass: 130.03946
MonoIsotopic Mass: 130.03946
Topological Polar Surface Area: 23.1
Heavy Atom Count: 9
Complexity: 75.3
Canonical SMILES: CC1=CC=CC=C1[O-].[Na+]
InChI: InChI=1S/C7H8O.Na/c1-6-4-2-3-5-7(6)8;/h2-5,8H,1H3;/q;+1/p-1
InChIKey: ONFAAMBUOAGWSG-UHFFFAOYSA-M
EINECS of Sodium cresolate (CAS NO.34689-46-8) : 252-154-5
1. | orl-rat LD50:1864 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) OTS0555474 . |
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NaO.
RIDADR: 2905
HazardClass: 8
PackingGroup: III
Sodium cresolate (CAS NO.34689-46-8) is also called Caswell No. 757A ; Cresol sodium salt ; Cresylic acid, sodium salt ; EPA Pesticide Chemical Code 357200 ; HSDB 5139 ; Methylphenol sodium salt ; Phenol, methyl-, sodium salt ; Sodium cresoxide ; Sodium cresylate .
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