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7-Octyn-1-ol

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Name

7-Octyn-1-ol

EINECS N/A
CAS No. 871-91-0 Density 0.889 g/cm3
PSA 20.23000 LogP 1.56240
Solubility N/A Melting Point -39°C (estimate)
Formula C8H14O Boiling Point 191.5 °C at 760 mmHg
Molecular Weight 126.199 Flash Point 116.3 °C
Transport Information N/A Appearance N/A
Safety 16 Risk Codes 10
Molecular Structure Molecular Structure of 871-91-0 (7-Octyn-1-ol) Hazard Symbols N/A
Synonyms

8-Hydroxy-1-octyne;Oct-7-yn-1-ol;Octane-7-yne-1-ol;

Article Data 66

7-Octyn-1-ol Synthetic route

14916-80-4

oct-3-yn-1-ol

871-91-0

oct-7-yn-1-ol

Conditions
ConditionsYield
With sodium hydride In ethylenediamine; mineral oil at 45 - 65℃;100%
With potassium hydride; Trimethylenediamine for 18h; Ambient temperature;97%
With potassium tert-butylate; lithium In ethylenediamine at 25℃; for 3h;96%
10297-09-3

oct-7-ynoic acid

871-91-0

oct-7-yn-1-ol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 3h; Inert atmosphere;96%
Multi-step reaction with 2 steps
1: diethyl ether
2: LiAlH4 / diethyl ether / 2 h / 0 °C
View Scheme
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 3h;
20739-58-6

2-octyn-1-ol

871-91-0

oct-7-yn-1-ol

Conditions
ConditionsYield
With sodium hydride; Trimethylenediamine In hexane; mineral oil at 0 - 20℃; for 3h;91%
With potassium salt of 1,3-diaminopropane In ammonia90%
With sodium hydride; ethylenediamine86%
34126-19-7

4-octyne-1-ol

871-91-0

oct-7-yn-1-ol

Conditions
ConditionsYield
With sodium amide; Trimethylenediamine at 80℃; for 2.5h;90%
With sodium amide; Trimethylenediamine at 80℃; for 4h;72.1%
16695-31-1

1-(2-Tetrahydropyranyloxy)-7-octyne

871-91-0

oct-7-yn-1-ol

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene for 144h;80%
52517-97-2

1-triphenylmethyloxyoct-7-yne

871-91-0

oct-7-yn-1-ol

Conditions
ConditionsYield
With water; trifluoroacetic acid In dichloromethane79%
119837-87-5

8-(t-Butyldimethylsilyloxy)-1-octyne

871-91-0

oct-7-yn-1-ol

Conditions
ConditionsYield
With water In tetrahydrofuran; water; acetic acid at 80 - 90℃; for 2h;75%
14916-80-4

oct-3-yn-1-ol

107-15-3

ethylenediamine

871-91-0

oct-7-yn-1-ol

Conditions
ConditionsYield
Stage #1: ethylenediamine With sodium hydride at 0 - 60℃; for 1h; Inert atmosphere;
Stage #2: oct-3-yn-1-ol at 60℃; for 1h; Inert atmosphere;
58%
24612-83-7

1-octene-4-yne

871-91-0

oct-7-yn-1-ol

Conditions
ConditionsYield
(i) 9-bora-bicyclo<3.3.1>nonane, THF, (ii) propane-1,3-diamine , benzene, (iii) H2O2, aq. NaOH; Multistep reaction;
18458-50-9

7-octynoic acid methyl ester

871-91-0

oct-7-yn-1-ol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether at 0℃; for 2h; Yield given;
With lithium borohydride In tetrahydrofuran Reduction;

7-Octyn-1-ol Specification

The 7-Octyn-1-ol with CAS registry number of 871-91-0 is also known as Octane-7-yne-1-ol. The IUPAC name is oct-7-yn-1-ol. In addition, the formula is C8H14O and the molecular weight is 126.2. This chemical is flammable. During using it, keep away from sources of ignition.

Physical properties about 7-Octyn-1-ol are: (1)ACD/LogP: 1.65; (2)ACD/LogD (pH 5.5): 1.65; (3)ACD/LogD (pH 7.4): 1.65; (4)ACD/BCF (pH 5.5): 10.55; (5)ACD/BCF (pH 7.4): 10.55; (6)ACD/KOC (pH 5.5): 187.92; (7)ACD/KOC (pH 7.4): 187.92; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.454; (13)Molar Refractivity: 38.47 cm3; (14)Molar Volume: 141.8 cm3; (15)Polarizability: 15.25x10-24cm3; (16)Surface Tension: 35.4 dyne/cm; (17)Density: 0.889 g/cm3; (18)Flash Point: 116.3 °C; (19)Enthalpy of Vaporization: 49.77 kJ/mol; (20)Boiling Point: 191.5 °C at 760 mmHg; (21)Vapour Pressure: 0.138 mmHg at 25 °C.

Preparation of 7-Octyn-1-ol: it is prepared by reaction of oct-3-yn-1-ol. This reaction needs reagents 1,3-diaminopropane, NaH at 80 °C for 2 hours.

7-Octyn-1-ol can be prepared by oct-3-yn-1-ol.

Uses of 7-Octyn-1-ol: it can be used to produce oct-7-ynoic acid. This reaction occurs with reagent Jones reagent and solvent acetone at ambient temperature for 30 minutes. The yield is about 57%.

7-Octyn-1-ol can be used to produce oct-7-ynoic acid.

You can still convert the following datas into molecular structure:
(1)SMILES: C#CCCCCCCO
(2)InChI: InChI=1/C8H14O/c1-2-3-4-5-6-7-8-9/h1,9H,3-8H2
(3)InChIKey: ATCNYMVVGBLQMQ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h1,9H,3-8H2
(5)Std. InChIKey: ATCNYMVVGBLQMQ-UHFFFAOYSA-N

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