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| CAS No.: | 85-43-8 |
|---|---|
| Name: | CIS-1,2,3,6-TETRAHYDROPHTHALIC ANHYDRIDE; >98% |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C8H8O3 |
| Molecular Weight: | 152.15 |
| Synonyms: | 4-Cyclohexene-1,2-dicarboxylicanhydride (8CI);1,2,3,6-Tetrahydrophthalic acid anhydride;3a,4,7,7a-Tetrahydro-1,3-isobenzofurandione;Cyclohexene-4,5-dicarboxylic anhydride;HK 019;KBH 1098;Maleic anhydride-butadiene adduct;NSC 82642;Rikacid TH;Rikacid THPA;Tetrahydrophthalic acid anhydride;D4-Tetrahydrophthalic anhydride; |
| EINECS: | 201-605-4 |
| Density: | 1.289 g/cm3 |
| Melting Point: | 101-102 °C |
| Boiling Point: | 305.6 °C at 760 mmHg |
| Flash Point: | 148.2 °C |
| Solubility: | REACTS |
| Appearance: | WHITE CRYSTALLINE POWDER |
| Hazard Symbols: | R41:; R42/43:; R52/53:; |
| Risk Codes: | 41-42/43-52/53 |
| Safety: | 26-36/37/39 |
| PSA: | 43.37000 |
| LogP: | 0.65220 |
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Specification
The Tetrahydrophthalic acid anhydride is an organic compound with the formula C8H8O3. The IUPAC name of this chemical is 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione. With the CAS registry number 85-43-8, it is also named as 1,2,3,6-Tetrahydrophthalic acid anhydride. The product's classification code is Skin / Eye Irritant. Besides, it should be stored in a closed and dry place. It is used for the preparation intermediates of tetramethrin and fungicide Captan. It can also be used to prepare the alkyd resin, unsaturated polyester resins, plasticizers and curing agents.
Physical properties about Tetrahydrophthalic acid anhydride are: (1)ACD/LogP: 0.10; (2)ACD/LogD (pH 5.5): 0.1; (3)ACD/LogD (pH 7.4): 0.1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.07; (7)ACD/KOC (pH 7.4): 27.07; (8)#H bond acceptors: 3; (9)Polar Surface Area: 43.37 Å2; (10)Index of Refraction: 1.529; (11)Molar Refractivity: 36.41 cm3; (12)Molar Volume: 118 cm3; (13)Polarizability: 14.43×10-24cm3; (14)Surface Tension: 44.9 dyne/cm; (15)Density: 1.289 g/cm3; (16)Flash Point: 148.2 °C; (17)Enthalpy of Vaporization: 54.6 kJ/mol; (18)Boiling Point: 305.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000815 mmHg at 25°C.
Preparation: this chemical can be prepared by maleic acid anhydride and buta-1,3-diene. This reaction will need reagent benzene. The reaction temperature is 20 °C.
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Uses of Tetrahydrophthalic acid anhydride: it can be used to produce trimethylsilyl 6-isocyanatocyclohex-3-en-1-carboxylate at temperature of 80 - 85 °C. It will need reagent dioxane with reaction time of 45 min. The yield is about 82%.
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When you are using this chemical, please be cautious about it as the following:
It is risk of serious damage to eyes and may cause sensitisation by inhalation and skin contact. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(=O)C2C1C/C=C\C2
(2)InChI: InChI=1/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2
(3)InChIKey: KMOUUZVZFBCRAM-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2
(5)Std. InChIKey: KMOUUZVZFBCRAM-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | unreported | 3500mg/kg (3500mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(12), Pg. 37, 1985. | |
| mouse | LC | inhalation | > 294mg/m3 (294mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(12), Pg. 37, 1985. | |
| mouse | LD50 | unreported | 3300mg/kg (3300mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(12), Pg. 37, 1985. | |
| mouse | LDLo | intraperitoneal | 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 780, 1955. | |
| rat | LC | inhalation | > 294mg/m3 (294mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(12), Pg. 37, 1985. | |
| rat | LD50 | unreported | 3gm/kg (3000mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(12), Pg. 37, 1985. |