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5990-32-9 structure

Iupac Name:trizinc 2-hydroxypropane-1,2,3-tricarboxylate dihydrate
CAS No.:5990-32-9
EINECS(EC#): 607-973-6
Molecular Weight:610.45696
Molecular Formula:C20H27N (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C6H8O7.2H2O.Zn/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2;/q;;;+2/p-3
Canonical Smiles
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Zn+2].[Zn+2].[Zn+2]
Properties
Appearance
White crystals or crystalline powder
Melting Point
334℃
Boiling Point
99.5°Cat760mmHg
Solubility
Insoluble.
Color/Form
White crystalline solid
Pale yellowish crystalline powder
White to pale-yellow, crystalline solid.
Stability
Stable, but light-sensitive. Incompatible with acid chlorides, acid anhydrides, brass, copper, copper alloys, steel, bases, oxidizing agents. Combustible.
Storage temp
0-6°C
Spectral properties
Index of Refraction: 1.4859 @ 75 DEG C/D.
Max absorption(Isopropanol): 227 NM (LOG E= 3.75); 277 NM (LOG E= 3.34); 283 NM (LOG E= 3.34)
Intense mass spectral peaks: 205 m/z (100%), 220 m/z (27%), 57 m/z (27%), 206 m/z (15%)
IR: 2107 (Coblentz Society Spectral Collection)
NMR: 1563 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
Safety and Handling
Safety Statements
S22;S24/25
Safety
Hazard Codes :HarmfulXn
Risk Statements:
R22:Harmful if swallowed
R36/37/38:Irritating to eyes, respiratory system and skin
R36/38:Irritating to eyes and skin
Safety Statements:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing
S37/39:Wear suitable gloves and eye/face protection
RIDADR 3077
WGK Germany: 1
RTECS: GO7875000
F: 8-10-23
HazardClass: 9
PackingGroup: III
HS Code: 29071900

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 940mg/kg (940mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
AMA Archives of Industrial Health. Vol. 11, Pg. 93, 1955.
guinea pig LD50 oral 10700mg/kg (10700mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
AMA Archives of Industrial Health. Vol. 11, Pg. 93, 1955.
mouse LD50 intraperitoneal 138mg/kg (138mg/kg) LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BLOOD: HEMORRHAGE
Toxicology and Applied Pharmacology. Vol. 61, Pg. 475, 1981.
mouse LD50 intravenous 180mg/kg (180mg/kg) BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.
mouse LD50 oral 650mg/kg (650mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA
Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.
rabbit LDLo oral 2100mg/kg (2100mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: TREMOR
AMA Archives of Industrial Health. Vol. 11, Pg. 93, 1955.
rat LD50 oral 890mg/kg (890mg/kg) Neoplasma. Vol. 24, Pg. 253, 1977.
women TDLo oral 80mg/kg (80mg/kg) BEHAVIORAL: COMA

GASTROINTESTINAL: GASTRITIS

GASTROINTESTINAL: NAUSEA OR VOMITING
New England Journal of Medicine. Vol. 314, Pg. 648, 1986.

Skin, Eye, and Respiratory Irritations
SRP: BHT dust is irritating if in contact with the eyes, nose or throat.
Fire Fighting Procedures
Carbon dioxide, dry chemial.
Fire Potential
Fire Hazard: slight, when exposed to heat or flame. Moderately dangerous can react with oxidizing materials.
Formulations/Preparations
The antioxidant formulations most commonly used in edible products contain various combinations of bha, bht, &/or propyl gallate together with citric acid in a suitable solvent.
Grades: technical; feed; "food chemical codex"
Inol CP shell
Embanox 2 rhone-poulenc
Hydagen DEO henkel
Exposure Standards and Regulations
Butylated hydroxytoluene used as a chemical preservative in animal drugs, feeds, and related products is generally recognized as safe when the total content of antioxidants is not over 0.002 percent of fat or oil content, including essential (volatile) oil content of food, provided the substance is used in accordance with good manufacturing or feeding practice.
Reactivities and Incompatibilities
Oxidizers.
Other Preventative Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet or significantly contaminated should be removed and replaced.
Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises.
Protective Equipment and Clothing
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Specification
BHT , its cas register number is 128-37-0. It also can be called 2,6-Di-tert-butyl-4-methylphenol ; 2,6-Bis(1,1-dimethylethyl)-4-methylphenol ; 2,6-Di-tert-butyl-p-cresol ;Butylated hydroxytoluene ; Butylated hydroxytoluene ; DBPC .It is a white crystalline solid and insoluble in water.
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 100_1000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Gadot Bio-Chem (Europe) BV 2010
Jungbunzlauer Austria AG 2017
LISAM SERVICES - TELEGIS 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:610.45696g/mol
  • Molecular Formula:C20H27N
  • Exact Mass:607.812514
  • Monoisotopic Mass:605.815624
  • Complexity:211
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:16
  • Topological Polar Surface Area:283
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:7
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Recommended Suppliers
  • Tel:+1-(201)-664-4100
  • Fax:
  • Tel:+1-(516)-627-6000
  • Fax:+1-(516)-627-6093
  • Tel:+1-(704)-391-1023
  • Fax:+1-(704)-393-0464
  • Tel:+1-(800)-344-3426
  • Fax:+1-(570)-421-9012, 420-3943
  • Tel:+1-(661)-327-9604
  • Fax:+1-(661)-327-1740
  • Tel:+1-410-9605455
  • Fax:+1-410-4399444
  • Tel:+1-(614)-790-1521, 888-293 4427
  • Fax:+1-(614)-790 3465
  • Tel:+86-(21)-5512-2488
  • Fax:+86-(21)-5512-3011
  • Tel:+1-(310)-515-1700
  • Fax:+1-(310)-515-4937
  • Tel:
  • Fax:+86-513-85332807,83541696
 
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