Terephthalic acid

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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)

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

  • p-Xylene
  • Terephthalaldehyde
  • 4-Methylbenzoic acid
  • p-Tolualdehyde
  • p-tolylmethanol
  • 4'-Methylacetophenone
  • 1,2,4-TRIMETHYL BENZENE
  • Carbon dioxide
  • Potassium benzoate
  • Methanol

DownStream

  • Cyclohexane-1,4-dimethanol
  • 1,4-Bis(trifluoromethyl)benzene
  • 4-(trifluoromethyl)benzoyl fluoride
  • Terephthalic acid dipropyl ester
  • methyl 1-phenylbicyclo[2.2.2]octane-4-carboxylate
  • Dibenzyl benzene-1,4-dicarboxylate
  • 1,4-Benzenedicarbonyl difluoride (9CI)
  • Benzoic acid, 4-(chlorocarbonyl)- (9CI)
  • Terephthaloyl Chloride

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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Related Compounds

  • terephthalic acid
  • terephthalic acid
  • chloroterephthalic acid
  • formyl-terephthalic acid
  • Terephthalic acid diamide
  • phenoxy-terephthalic acid
  • 1-(3-Iodoazetidin-1-yl)ethan-1-one
  • 4-Amino-5-fluorochroman-3-ol
  • 4,6-Dibromothiochroman
  • 6-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-4-carboxylic acid
  • 1-(2-(2-(Chloromethyl)cyclopropyl)piperidin-1-yl)ethanone
  • 1-(2-Bromo-5-(trifluoromethyl)thiazol-4-yl)ethan-1-ol
  • 2-[6-[(2,6-Dimethyl-4-piperidinyl)oxy]-3-pyridazinyl]-5-(1H-pyrazol-4-yl)phenol
  • Formic acid dimer
  • 1-(5-Methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)prop-2-en-1-one
  • 1-(4-Methoxy-2-methylphenyl)prop-2-en-1-ol
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