essential information
Announce Chemical formula: C six H six O four
Molecular weight: 142.109
CAS No.: 501-30-4
MDL No.: MFCD00006580
EINECS No. 207-922-4
RTECS No.: UQ0875000
BRN No.: 120895
PubChem No.: 24896226
Physical and chemical properties
Announce Density: 1.542g/cm three
Melting point: 152-155 ℃
Boiling point: 401.7 ℃
Flash point: 179.9 ℃ [2]
Molecular structure data
Announce Molar refractive index: 31.81
Molar volume (cm three /mol）：92.1
Isotonic specific volume (90.2K): 267.9
Surface tension (dyne/cm): 71.5
Polarization (10 -24 cm three ）：12.61 [2]
Calculate chemical data
Announce Reference value of drainage parameter calculation (XlogP): -0.9
Number of hydrogen bond donors: 2
Number of hydrogen bond receptors: 4
Number of rotatable chemical bonds: 1
Number of tautomers: 2
Topological molecular polar surface area: 66.8
Number of heavy atoms: 10
Surface charge: 0
Complexity: 214
Number of isotope atoms: 0
Determine the number of atomic structure centers: 0
Number of uncertain atomic structure centers: 0
Determine the number of chemical bond structure centers: 0
Number of uncertain chemical bond structure centers: 0
Number of covalent bond units: 1 [2]
1. Acute toxicity
Intravenous LDLo of rats: 1gm/kg;
Mouse oral LC fifty : 85mg/kg, behavioral somnolence (general depressive activity, convulsion or epilepsy, respiratory depression);
Mouse intraperitoneal LC fifty ：250mg/kg；
Subcutaneous LCLo of mice: 1500mg/kg, behavior lethargy (general depressive activity, convulsion or epilepsy, respiratory depression);
Intravenous LC in mice fifty : 1500mg/kg, behavioral somnolence (general depressive activity, convulsion or epilepsy, respiratory depression);
Intravenous LD in dogs fifty ：1gm/kg。
Intravenous LD in rabbits fifty ：1gm/kg，。
2. Mutagenic data
Microbial organism TEST system mutation: bacteria Salmonella typhimurium: 2mg/plate;
Microbial organism TEST system mutation: bacteria Salmonella typhimurium: 500ng/plate;
Cytogenetic analysisTEST system: rodent hamster ovary: 4500mg/L;
Sister chromatid exchange Intraperitoneal TEST system: rodent mouse: 4500mg/L. [2]
It is mainly used as whitening agent, food additive, preservative, fresh-keeping agent, color fixative, etc.
security information
Announce S22：Do not breathe dust.
Do not breathe dust.
S24/25：Avoid contact with skin and eyes.
Avoid skin and eye contact.
R40：Possible risks of irreversible effects.
There may be risk of irreversible effects.
