1,2,3,6-Tetrahydrophthalic anhydride

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Names

[ CAS No. ]:
85-43-8

[ Name ]:
1,2,3,6-Tetrahydrophthalic anhydride

[Synonym ]:
MFCD00005916
3a,4,7,7a-Tetrahydroisobenzofuran-1,3-dione
EINECS 201-605-4
Tetrahydrophthalic Anhydride
1,2,3,6-Tetrahydrophthalic anhydride

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
305.6±42.0 °C at 760 mmHg

[ Melting Point ]:
101-102°C

[ Molecular Formula ]:
C8H8O3

[ Molecular Weight ]:
152.147

[ Flash Point ]:
148.3±25.1 °C

[ Exact Mass ]:
152.047348

[ PSA ]:
43.37000

[ LogP ]:
0.10

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.529

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GW5775000
CHEMICAL NAME :
4-Cyclohexene-1,2-dicarboxylic anhydride
CAS REGISTRY NUMBER :
85-43-8
BEILSTEIN REFERENCE NO. :
0082340
LAST UPDATED :
199710
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C8-H8-O3
MOLECULAR WEIGHT :
152.16
WISWESSER LINE NOTATION :
T56 BVOV GUTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,322,1986
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: -,322,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LC - Lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>294 mg/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 29(12),37,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 29(12),37,1985
TYPE OF TEST :
LC - Lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>294 mg/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 29(12),37,1985
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 7,780,1955
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 29(12),37,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
3500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 29(12),37,1985 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2931 No. of Facilities: 39 (estimated) No. of Industries: 3 No. of Occupations: 9 No. of Employees: 1584 (estimated) No. of Female Employees: 547 (estimated)

Safety Information

[ Risk Phrases ]:
R41

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
2698

[ Packaging Group ]:
III

[ Hazard Class ]:
8

Synthetic Route

Precursor & DownStream

Precursor

  • o-xylene
  • 4-Cyclohexene-1,2-dicarboxylic acid,dimethyl ester
  • Maleic anhydride
  • butadiene
  • 1,2-butadiene

DownStream

  • n-ethylphthalimide
  • Tetrahydrophthalamic acid
  • Phthalic anhydride
  • 4-Cyclohexene-1,2-dimethanol,1,2-dimethanesulfonate, (1R,2S)-rel-
  • 3,4,5,6-Tetrahydrophthalic acid anhydride
  • 3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione
  • hexahydrophthalic anhydride
  • 1,2,3,6-Tetrahydrophthalimide
  • (3aR,7aR)-Hexahydro-2-benzofuran-1,3-dione
  • 1,2,3,4-Butanetetracarboxylic acid

Related Compounds

  • cis-1,2,3,6-Tetrahydrophthalic anhydride
  • trans-1,2,3,6-Tetrahydrophthalic anhydride
  • trans-1,2,3,6-tetrahydrophthalic anhydride
  • 3,6-oxo-1,2,3,6-tetrahydrophthalic anhydride
  • 4-Methyl-1,2,3,6-tetrahydrophthalic Anhydride
  • 4-Methyl-1,2,3,6-tetrahydrophthalic anhydride
  • 2-(Imidazo[1,2-a]pyridin-3-yl)propan-2-ol
  • 3-[(4-methanesulfonyl-1H-pyrazol-1-yl)methyl]pyridine-2-carboxylic acid
  • 2-(4-methanesulfonyl-1H-pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid
  • tert-butyl N-{[3-(aminomethyl)-2,2-dimethylcyclopropyl]methyl}carbamate
  • 2-(4-methanesulfonyl-1H-pyrazol-1-yl)pyridine-3-carboxylic acid
  • Methyl 2-amino-2-[1-(4-methylpyridin-2-yl)cyclopropyl]acetate
  • tert-butyl N-[2-(2,2-difluoroacetyl)-5-methoxyphenyl]carbamate
  • tert-butyl 2-(6-methoxy-1H-indol-2-yl)piperazine-1-carboxylate
  • 1-(2-chloroprop-2-en-1-yl)-1H-indol-5-amine
  • methyl 4-amino-1-(2-chloroprop-2-en-1-yl)-1H-pyrazole-3-carboxylate
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