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CAS No.: | 1679-51-2 |
---|---|
Name: | 3-Cyclohexene-1-methanol |
Article Data: | 124 |
Molecular Structure: | |
Formula: | C7H12O |
Molecular Weight: | 112.172 |
Synonyms: | (Cyclohex-1-en-4-yl)methanol;(Cyclohex-3-enyl)methanol;1,2,3,6-Tetrahydrobenzyl alcohol;1-(Hydroxymethyl)-3-cyclohexene;3,4-Cyclohexenylmethanol;3-Cyclohexene-1-carbinol;4-(Hydroxymethyl)-1-cyclohexene;Cyclohex-1-ene-4-methanol;Cyclohex-3-en-1-ylmethanol;Cyclohexen-4-ylmethanol;NSC 158554; |
EINECS: | 216-847-6 |
Density: | 0.948 g/cm3 |
Boiling Point: | 173.4 °C at 760 mmHg |
Flash Point: | 76.1 °C |
Appearance: | colorless liquid |
Safety: | 23-24/25 |
PSA: | 20.23000 |
LogP: | 1.33500 |
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The IUPAC name of 3-Cyclohexene-1-methanol is cyclohex-3-en-1-ylmethanol. With the CAS registry number 1679-51-2, it is also named as 4-(Hydroxymethyl)cyclohexene. The product's categories are Hydroxymethyl's; Ring Systems, and the other registry number is 72581-32-9. Besides, it should be stored in a dark and closed place. When you are using this chemical, please do not breathe vapour. And you should avoid contact with skin and eyes. In addition, its molecular formula is C7H12O and molecular weight is 112.17.
The other characteristics of this product can be summarized as: (1)EINECS: 216-847-6; (2)ACD/LogP: 1.50; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.5; (5)ACD/LogD (pH 7.4): 1.5; (6)ACD/BCF (pH 5.5): 8.17; (7)ACD/BCF (pH 7.4): 8.17; (8)ACD/KOC (pH 5.5): 156.52; (9)ACD/KOC (pH 7.4): 156.52; (10)#H bond acceptors: 1; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 9.23 Å2; (14)Index of Refraction: 1.478; (15)Molar Refractivity: 33.5 cm3; (16)Molar Volume: 118.3 cm3; (17)Polarizability: 13.28×10-24cm3; (18)Surface Tension: 37.4 dyne/cm; (19)Density: 0.948 g/cm3; (20)Flash Point: 76.1 °C; (21)Enthalpy of Vaporization: 47.71 kJ/mol; (22)Boiling Point: 173.4 °C at 760 mmHg; (23)Vapour Pressure: 0.397 mmHg at 25 °C.
Preparation of 3-Cyclohexene-1-methanol: this chemical can be prepared by cyclohex-3-enecarbaldehyde.
This reaction needs LiAlH4 and tetrahydrofuran.
Uses of 3-Cyclohexene-1-methanol: it can react with thiazolidine-2,4-dione to get 3-cyclohex-3-enylmethyl-thiazolidine-2,4-dione.
This reaction needs dimethylazodicarboxylate, triphenylphosphine and tetrahydrofuran at ambient temperature. The yield is 65 %.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1CC(CC=C1)CO
(2)InChI: InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2
(3)InChIKey: VEIYJWQZNGASMA-UHFFFAOYSA-N