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| CAS No.: | 39590-81-3 |
|---|---|
| Name: | 1,1-Bis(hydroxymethyl)cyclopropane |
| Article Data: | 40 |
| Molecular Structure: | |
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| Formula: | C5H10O2 |
| Molecular Weight: | 102.133 |
| Synonyms: | (1-Hydroxymethylcyclopropyl)methanol;1,1-Cyclopropanedimethanol;1,1-Di(hydroxymethyl)cyclopropane;2,2-(1,2-Ethylene)-1,3-propanediol;Cyclopropane-1,1-bis(methanol); |
| Density: | 1.149 g/cm3 |
| Boiling Point: | 241.9 °C at 760 mmHg |
| Flash Point: | 121 °C |
| Appearance: | Liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36 |
| Safety: | 26-36 |
| PSA: | 40.46000 |
| LogP: | -0.24880 |
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Specification
The 1,1-Cyclopropane dimethanol, with the CAS registry number 39590-81-3, has the systematic name of cyclopropane-1,1-diyldimethanol. And its product categories are including Propanes/propenes; Hydroxymethyl's; Alkohols; API intermediates; Ring Systems.
The physical properties of this chemical are as below: (1)ACD/LogP: -0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.99; (4)ACD/LogD (pH 7.4): -0.99; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.92; (8)ACD/KOC (pH 7.4): 6.92; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 26.19 cm3; (15)Molar Volume: 88.8 cm3; (16)Polarizability: 10.38×10-24 cm3; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.149 g/cm3; (19)Flash Point: 121 °C; (20)Enthalpy of Vaporization: 55.65 kJ/mol; (21)Boiling Point: 241.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00601 mmHg at 25°C.
Use of this chemical: 1,1-Cyclopropane dimethanol could react to produce 1,1-bis-bromomethyl-cyclopropane. This reaction could happen in the presence of the reagent of PBr3, and it needs the reaction temperature of 140 ℃.
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Production method of this chemical:cyclopropane-1,1-dicarboxylic acid diethyl ester could react to produce 1,1-Cyclopropane dimethanol. This reaction could happen in the presence of the reagent of LiAlH4 and diethyl ether.
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When you are dealing with this chemical, you should be much more cautious. For being a kind of irritant chemical to eyes, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:OCC1(CO)CC1
(2)InChI:InChI=1/C5H10O2/c6-3-5(4-7)1-2-5/h6-7H,1-4H2
(3)InChIKey:YAINYZJQSQEGND-UHFFFAOYAI