5-Hexyn-1-ol supplier | CasNO.928-90-5

Basic Information

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Cas Database

Name

5-Hexyn-1-ol

EINECS

N/A

CAS No.

928-90-5

Density

0.901g/cm³

PSA

20.23000

LogP

0.78220

Solubility

Slightly miscible with water.

Melting Point

-34°C (estimate)

Formula

C₆H₁₀ O

Boiling Point

167.1 °C at 760 mmHg

Molecular Weight

98.1448

Flash Point

70 °C

Transport Information

N/A

Appearance

Clear pale yellow liquid

Safety

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36
WGK Germany	3
PackingGroup	III

Risk Codes

R36/37/38

Molecular Structure

Hazard Symbols

Synonyms

1-Hexyn-6-ol;1-Hydroxy-5-hexyne;5-Hexynol;5-Hexynyl alcohol;6-Hydroxy-1-hexyne;

Article Data

5-Hexyn-1-ol Synthetic route

: 73448-13-2
tert-butyldimethylsilyl hex-5-yn-1-yl ether

: 928-90-5
5-hexyl-1-ol

Conditions

Conditions	Yield
With hydrogenchloride In methanol; water at 23℃; for 1h; Inert atmosphere;	93%
With triethylamine hydrofluoride In tetrahydrofuran at 50℃; for 19h; var. reag.: (n-Bu)4N(1+)*F(1-);	86%

: 1720-37-2
2-(hex-5-yn-1-yloxy)tetrahydro-2H-pyran

: 928-90-5
5-hexyl-1-ol

Conditions

Conditions	Yield
With ammonium nitrate; Montmorillonite-K10 for 0.0583333h; deprotection; microwave irradiation;	86%
With ethanol; pyridinium p-toluenesulfonate at 55℃; var. reag.: TsOH, MeOH, 25 deg C, 7 h;	73%
With pyridinium p-toluenesulfonate In ethanol at 25℃; for 3h;

: 18420-41-2, 130233-13-5, 130233-14-6
2-(chloromethyl)tetrahydropyran

: 928-90-5
5-hexyl-1-ol

Conditions

Conditions	Yield
With sodium amide; ferric nitrate In ammonia Whiting's double elimination;	85%
With sodium amide In ammonia	83%
With Iron(III) nitrate nonahydrate; ammonia; sodium for 4h; Cooling;	67%

: 53293-00-8
hex-5-ynoic acid

: 928-90-5
5-hexyl-1-ol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 15h; Inert atmosphere;	82%
With LiAlH4 In diethyl ether

: 123186-35-6
1-((hex-5-yn-1-yloxy)methyl)-4-methoxybenzene

: 928-90-5
5-hexyl-1-ol

Conditions

Conditions	Yield
With trichlorophosphate In 1,2-dichloro-ethane at 20℃; for 0.833333h;	80%
With acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; sodium nitrite at 20℃; for 18h; Green chemistry; chemoselective reaction;	72%

: 764-60-3
hex-2-yn-1-ol

: 928-90-5
5-hexyl-1-ol

Conditions

Conditions	Yield
With sodium hydride; ethylenediamine In mineral oil at 0 - 70℃;	52%
With sodium amide In various solvent(s)
With potassium tert-butylate; lithium; Trimethylenediamine at 20℃; Zipper reaction; Inert atmosphere;

: 77758-51-1
methyl hex-5-ynoate

: 762-72-1
allyl-trimethyl-silane

A: non-1-en-8-yn-4-ol

B: 928-90-5
5-hexyl-1-ol

Conditions

Conditions	Yield
With indium (III) iodide; Dimethylphenylsilane In dichloromethane at 20℃; for 1.66667h; Inert atmosphere; chemoselective reaction;	A 40% B 22 %Spectr.

: 77566-25-7
nitrite d'hexyne-5 ol-1

A: 928-90-5
5-hexyl-1-ol

B: 29329-03-1
5-hexynal

C: 77566-35-9
(hydroxy-3 propyl)-3 isoxazole

Conditions

Conditions	Yield
In benzene at 10 - 20℃; for 26h; Irradiation;	A 17% B 5% C 11%

: 1002-28-4
3-hexyn-1-ol

: 928-90-5
5-hexyl-1-ol

Conditions

Conditions	Yield
With propane-1,3-diamine potassium salt

: 68274-83-9
5-hexyn-1-yl acetate

: 928-90-5
5-hexyl-1-ol

Conditions

Conditions	Yield
With potassium hydroxide In methanol Heating;

5-Hexyn-1-ol Specification

The 5-Hexyn-1-ol with cas registry number of 928-90-5, is also called 1-Hexyn-6-ol ; 5-Hexynol . The 5-Hexyn-1-ol belongs to the following product categorie: (1)Acetylenes; (2)Acetylenic Alcohols & Their Derivatives; (3)Alkynes; (4)Organic Building Blocks; (5)Terminal .

Physical properties of 5-Hexyn-1-ol :(1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.2; (6)ACD/BCF (pH 7.4): 2.2; (7)ACD/KOC (pH 5.5): 61.25; (8)ACD/KOC (pH 7.4): 61.25; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 29.2 cm³; (15)Molar Volume: 108.8 cm³; (16)Polarizability: 11.57×10^-24cm³; (17)Surface Tension: 35.9 dyne/cm; (18)Enthalpy of Vaporization: 46.99 kJ/mol; (19)Vapour Pressure: 0.572 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 5-Hexyn-1-ol irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:(1)SMILES:C#CCCCCO; (2)InChI:InChI=1/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H2; (3)InChIKey:GOQJMMHTSOQIEI-UHFFFAOYAA; (4)Std. InChI:InChI=1S/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H2; (5)Std. InChIKey:GOQJMMHTSOQIEI-UHFFFAOYSA-N.

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