Terephthalic acid
Names
[ CAS No. ]: 
100-21-0
        
[ Name ]: 
Terephthalic acid
        
[Synonym ]:
                
                TEREPHTHALIC ACID FOR SYNTHESIS
                
                
            
                
                TEREPHTHALIC ACID/BENZENE-1,4-DICARBOXYLIC ACID
                
                
            
                
                benzene-1,4-dicarboxylic acid
                
                
            
                
                p-Phthalic Acid
                
                
            
                
                PURIFIED TEREPHTHALIC ACID
                
                
            
                
                MFCD00002558
                
                
            
                
                Terephthalic acid
                
                
            
                
                EINECS 202-830-0
                
                
            
                
                Terephthalicacid
                
                
            
                
                P-BENZENEDICARBOXYLIC ACID
                
                
            
                
                Caffeic acid
                
                
            
                
                TEREPHTHALIC ACID (TPA)
                
                
                
                
    
Biological Activity
[Description]:
[Related Catalog]:
[Target]
Human Endogenous Metabolite
[References]
[Related Small Molecules]
Chemical & Physical Properties
[ Density]:
1,51 g/cm3
            
[ Boiling Point ]:
392.4ºC at 760 mmHg
            
[ Melting Point ]:
300 °C
            
[ Molecular Formula ]:
C8H6O4
            
[ Molecular Weight ]:
166.13100
            
[ Flash Point ]:
260°C
            
[ Exact Mass ]:
166.02700
            
[ PSA ]:
74.60000
            
[ LogP ]:
1.08300
            
[ Vapour Pressure ]:
1.83E-15mmHg at 25°C
            
[ Index of Refraction ]:
1.648
            
[ Storage condition ]:
0-6°C
            
[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents.
            
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
 - WZ0875000
 
- CHEMICAL NAME :
 - Terephthalic acid
 
- CAS REGISTRY NUMBER :
 - 100-21-0
 
- BEILSTEIN REFERENCE NO. :
 - 1909333
 
- LAST UPDATED :
 - 199712
 
- DATA ITEMS CITED :
 - 15
 
- MOLECULAR FORMULA :
 - C8-H6-O4
 
- MOLECULAR WEIGHT :
 - 166.14
 
- WISWESSER LINE NOTATION :
 - QVR DVQ
 
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
 - Standard Draize test
 
- ROUTE OF EXPOSURE :
 - Administration into the eye
 
- SPECIES OBSERVED :
 - Rodent - rabbit
 
- REFERENCE :
 - 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,317,1986 ** ACUTE TOXICITY DATA **
 
- TYPE OF TEST :
 - LD50 - Lethal dose, 50 percent kill
 
- ROUTE OF EXPOSURE :
 - Oral
 
- SPECIES OBSERVED :
 - Rodent - rat
 
- DOSE/DURATION :
 - >6400 mg/kg
 
- TOXIC EFFECTS :
 - Details of toxic effects not reported other than lethal dose value
 
- REFERENCE :
 - KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971
 
- TYPE OF TEST :
 - LD50 - Lethal dose, 50 percent kill
 
- ROUTE OF EXPOSURE :
 - Oral
 
- SPECIES OBSERVED :
 - Rodent - mouse
 
- DOSE/DURATION :
 - 3200 mg/kg
 
- TOXIC EFFECTS :
 - Details of toxic effects not reported other than lethal dose value
 
- REFERENCE :
 - KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971
 
- TYPE OF TEST :
 - LD50 - Lethal dose, 50 percent kill
 
- ROUTE OF EXPOSURE :
 - Intraperitoneal
 
- SPECIES OBSERVED :
 - Rodent - mouse
 
- DOSE/DURATION :
 - 1430 mg/kg
 
- TOXIC EFFECTS :
 - Details of toxic effects not reported other than lethal dose value
 
- REFERENCE :
 - CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 16,1655,1968
 
- TYPE OF TEST :
 - LDLo - Lowest published lethal dose
 
- ROUTE OF EXPOSURE :
 - Intravenous
 
- SPECIES OBSERVED :
 - Mammal - dog
 
- DOSE/DURATION :
 - 767 mg/kg
 
- TOXIC EFFECTS :
 - Details of toxic effects not reported other than lethal dose value
 
- REFERENCE :
 - TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 18,469,1971 ** OTHER MULTIPLE DOSE TOXICITY DATA **
 
- TYPE OF TEST :
 - TDLo - Lowest published toxic dose
 
- ROUTE OF EXPOSURE :
 - Oral
 
- SPECIES OBSERVED :
 - Rodent - rat
 
- DOSE/DURATION :
 - 364 gm/kg/1Y-C
 
- TOXIC EFFECTS :
 - Sense Organs and Special Senses (Eye) - effect, not otherwise specified Liver - changes in liver weight
 
- REFERENCE :
 - NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570926
 
- TYPE OF TEST :
 - TCLo - Lowest published toxic concentration
 
- ROUTE OF EXPOSURE :
 - Inhalation
 
- SPECIES OBSERVED :
 - Rodent - rat
 
- DOSE/DURATION :
 - 5 mg/m3/2H/26W-I
 
- TOXIC EFFECTS :
 - Vascular - BP lowering not characterized in autonomic section Blood - pigmented or nucleated red blood cells Nutritional and Gross Metabolic - weight loss or decreased weight gain
 
- REFERENCE :
 - TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 7,91,1965
 
- TYPE OF TEST :
 - TDLo - Lowest published toxic dose
 
- ROUTE OF EXPOSURE :
 - Oral
 
- SPECIES OBSERVED :
 - Rodent - mouse
 
- DOSE/DURATION :
 - 5964 mg/kg/7D-I
 
- TOXIC EFFECTS :
 - Liver - liver function tests impaired
 
- REFERENCE :
 - CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 16,1655,1968 *** REVIEWS *** ACGIH TLV-TWA 10 mg/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 TOXICOLOGY REVIEW BPCT** Progress Report from the Environmental Protection Agency to NIOSH on Benzenepolycarboxylates, 1974 Volume(issue)/page/year: -,183,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82013 No. of Facilities: 1682 (estimated) No. of Industries: 26 No. of Occupations: 42 No. of Employees: 22732 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 82013 No. of Facilities: 282 (estimated) No. of Industries: 8 No. of Occupations: 16 No. of Employees: 6456 (estimated) No. of Female Employees: 2563 (estimated)
 
Safety Information
[ Personal Protective Equipment ]:
 dust mask type N95 (US);Eyeshields;Gloves
            
[ Hazard Codes ]:
 Xi
            
[ Risk Phrases ]:
 R36/37/38
            
[ Safety Phrases ]:
 S26-S36
            
[ RIDADR ]: 
NONH for all modes of transport
            
[ WGK Germany ]: 
3
            
[ RTECS ]: 
WZ0875000
            
[ HS Code ]:
 2917361100
            
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2917361100
[ Summary ]: 
2917361100 terephthalic acid。Supervision conditions:None。VAT:17.0%。Tax rebate rate:13.0%。Lowest tariff:6.5%。General tariff:30.0%
            
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