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| CAS No.: | 17994-25-1 |
|---|---|
| Name: | 1-Hydroxy-1-cyclopropanecarboxylic acid |
| Molecular Structure: | |
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|
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| Formula: | C4H6O3 |
| Molecular Weight: | 102.09 |
| Synonyms: | 1-Hydroxy-1-cyclopropanecarboxylicacid;1-Hydroxycyclopropanecarboxylic acid;1-Hydroxy-1-cyclopropanecarboxylic acid; |
| EINECS: | 242-045-0 |
| Density: | 1.676 g/cm3 |
| Melting Point: | 108-110 °C(lit.) |
| Boiling Point: | 276.567 °C at 760 mmHg |
| Flash Point: | 135.307 °C |
| Appearance: | Beige fine crystalline powder |
| Hazard Symbols: |
 C, Xi
|
| Risk Codes: | 36/37/38-34-22 |
| Safety: | 26-36-45-36/37/39 |
| PSA: | 57.53000 |
| LogP: | -0.40410 |
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Specification
The CAS register number of Cyclopropanecarboxylicacid, 1-hydroxy- is 17994-25-1. It also can be called as 1-Hydroxy-1-cyclopropanecarboxylic acid and the IUPAC name about this chemical is 1-hydroxycyclopropane-1-carboxylate. The molecular formula about this chemical is C4H6O3 and the molecular weight is 102.09. It belongs to the following product categories, such as All Inhibitors; Inhibitors; C1 to C5; Carbonyl Compounds; Carboxylic Acids and so on.
Physical properties about Cyclopropanecarboxylicacid, 1-hydroxy- are: (1)ACD/LogP: -1.72; (2)ACD/LogD (pH 5.5): -3.69; (3)ACD/LogD (pH 7.4): -5.22; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 35.53Å2; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 21.43 cm3; (14)Molar Volume: 60.9 cm3; (15)Polarizability: 8.49x10-24cm3; (16)Surface Tension: 107.2 dyne/cm; (17)Flash Point: 135.3 °C; (18)Enthalpy of Vaporization: 59.79 kJ/mol; (19)Boiling Point: 276.6 °C at 760 mmHg; (20)Vapour Pressure: 0.000592 mmHg at 25°C.
Preparation: this chemical can be prepared by 4,6-dioxa-sπro[2.4]heptan-7-one. This reaction will need solvent aq. NaOH. The reaction time is 30 min with reaction temperature of 50 ℃. The yield is about 85%.
Uses of Cyclopropanecarboxylicacid, 1-hydroxy-: it can be used to produce 1-tetrahydropyranyloxycyclopropanecarboxylic acid with 3,4-dihydro-2H-pyran at ambient temperature. This reaction will need solvent CH2Cl2 with reaction time of 2.5 hours. The yield is about 100%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin, it is harmful if swallowed and it can cause burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1(O)CC1
(2)InChI: InChI=1/C4H6O3/c5-3(6)4(7)1-2-4/h7H,1-2H2,(H,5,6)
(3)InChIKey: GQXURJDNDYACGE-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C4H6O3/c5-3(6)4(7)1-2-4/h7H,1-2H2,(H,5,6)
(5)Std. InChIKey: GQXURJDNDYACGE-UHFFFAOYSA-N