CAS No.1679-51-2,3-Cyclohexene-1-methanol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1679-51-2
Name:	3-Cyclohexene-1-methanol
Article Data:	124

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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Specification

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