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| CAS No.: | 871-91-0 |
|---|---|
| Name: | 7-Octyn-1-ol |
| Article Data: | 66 |
| Molecular Structure: | |
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| Formula: | C8H14O |
| Molecular Weight: | 126.199 |
| Synonyms: | 8-Hydroxy-1-octyne;Oct-7-yn-1-ol;Octane-7-yne-1-ol; |
| Density: | 0.889 g/cm3 |
| Melting Point: | -39°C (estimate) |
| Boiling Point: | 191.5 °C at 760 mmHg |
| Flash Point: | 116.3 °C |
| Risk Codes: | 10 |
| Safety: | 16 |
| PSA: | 20.23000 |
| LogP: | 1.56240 |
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- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
- 14916-80-4
oct-3-yn-1-ol
- 871-91-0
oct-7-yn-1-ol
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With sodium hydride; Trimethylenediamine In hexane; mineral oil at 0 - 20℃; for 3h; | 91% |
| With potassium salt of 1,3-diaminopropane In ammonia | 90% |
| With sodium hydride; ethylenediamine | 86% |
- 34126-19-7
4-octyne-1-ol
- 871-91-0
oct-7-yn-1-ol
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With water; trifluoroacetic acid In dichloromethane | 79% |
- 119837-87-5
8-(t-Butyldimethylsilyloxy)-1-octyne
- 871-91-0
oct-7-yn-1-ol
| Conditions | Yield |
|---|---|
| With water In tetrahydrofuran; water; acetic acid at 80 - 90℃; for 2h; | 75% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| (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 | Yield |
|---|---|
| With lithium aluminium tetrahydride In diethyl ether at 0℃; for 2h; Yield given; | |
| With lithium borohydride In tetrahydrofuran Reduction; |
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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.
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%.
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