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3-OCTYN-1-OL
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Name

3-OCTYN-1-OL

 EINECS 238-986-1
CAS No. 14916-80-4 Density 0.876
PSA 20.23000 LogP 1.56240
Solubility Soluble Melting Point -39°C (estimate)
Formula C8H14 O Boiling Point 86 - 88 C at 9 mm Hg
Molecular Weight 126.199 Flash Point > 110 C
Transport Information 170kgs Appearance clear to yellowish oily liquid
Safety S24 25 26;S37/39 Risk Codes R36/37/38   
Molecular Structure Molecular Structure of 14916-80-4 (3-Octyn-1-ol) Hazard Symbols
Synonyms

NSC 67251

Article Data 21

3-OCTYN-1-OL Synthetic route

1-methoxy-4-(oct-3-yn-1-yloxy)methylbenzene

14916-80-4

oct-3-yn-1-ol

Conditions
ConditionsYield
With acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; sodium nitrite at 20℃; for 18h; Green chemistry; chemoselective reaction;93%
85217-50-1

2-(3-octyn-1-yloxy)tetrahydro-2H-pyran

14916-80-4

oct-3-yn-1-ol

Conditions
ConditionsYield
With toluene-4-sulfonic acid In methanol; water at 23℃; Inert atmosphere;86%
17689-03-1

1-hexynyllithium

110-75-8

2-chloroetyl vinyl ether

14916-80-4

oct-3-yn-1-ol

Conditions
ConditionsYield
With iron(III)-acetylacetonate In diethyl ether; ammonia from -30 to 20 deg C, 15 h;65%
109-65-9

1-bromo-butane

927-74-2

1-butyn-4-ol

14916-80-4

oct-3-yn-1-ol

Conditions
ConditionsYield
With lithium; ferric nitrate In tetrahydrofuran; ammonia for 3h;62.2%
Stage #1: 3-Butyn-1-ol With lithium amide; ammonia; ferric nitrate at -50℃; for 1h;
Stage #2: 1-bromo-butane for 2h; Further stages.;		26.6%
With lithium amide In ammonia
With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium 1.) THF, hexane, -23 deg C --> r.t., 30 min, 2.) -23 deg C, 4 h; Yield given. Multistep reaction;
With lithium amide; ammonia; ferric nitrate
75-21-8

oxirane

32359-01-6

hexenylmagnesium bromide

14916-80-4

oct-3-yn-1-ol

75-21-8

oxirane

42332-01-4

sodium butylacetylide

14916-80-4

oct-3-yn-1-ol

Conditions
ConditionsYield
With ammonia
75-21-8

oxirane

693-02-7

hex-1-yne

14916-80-4

oct-3-yn-1-ol

Conditions
ConditionsYield
(i) Na, liq. NH3, Fe(NO3)3, (ii) /BRN= 102378/; Multistep reaction;
Stage #1: hex-1-yne With ethylmagnesium bromide In tetrahydrofuran Reflux;
Stage #2: oxirane In tetrahydrofuran at 20℃;
14675-05-9

1-vinyloxy-oct-3-yne

14916-80-4

oct-3-yn-1-ol

Conditions
ConditionsYield
With hydrogenchloride
75-21-8

oxirane

38203-73-5, 38203-81-5, 106872-21-3

C4H7BrMg

A

14916-80-4

oct-3-yn-1-ol

B

41746-22-9

oct-3-yn-2-ol

Conditions
ConditionsYield
In benzene 12 h, RT; 4 h, reflux;
75-21-8

oxirane

C6H9Hg

14916-80-4

oct-3-yn-1-ol

Conditions
ConditionsYield
With lithium 1) THF, reflux, 2) DMSO, 60 - 65 deg C, 3h; Yield given. Multistep reaction;

3-OCTYN-1-OL Chemical Properties

IUPAC Name: Oct-3-yn-1-ol
Molecular Formula  C8H14O
Molecular Weight  126.20
Index of Refraction: 1.458
Flash Point: 106 ºC
EINECS: 238-986-1
Density  0.880 g/mL at 25 °C(lit.)}
Refractive index  1.4555-1.4575
Enthalpy of Vaporization: 52.61 kJ/mol 
Boiling Point: 216 °C at 760 mmHg 
Vapour Pressure: 0.031 mmHg at 25°C 
Appearance: Colorless - yellow Liquid
Chemical Stability: Stable under normal temperatures and pressures
Product Categories: Miscellaneous ; Acetylenes ; Acetylenic alcohols & Their derivatives ; Alkynes ; Internal ; Organic building blocks 
Synonyms: 3-Octyne-1-ol ; 3-Octyn-1-ol ; Timtec-bb SBB009106 ; Octynol ; N-butyl-2-hydroxyethylacetylene ; Oct-3-yn-1-ol ; 3-Octyn-1-ol 98% ; 1-Butyl-2-(2-hydroxyethyl)acetylene
Following is the molecular structure of Oct-3-yn-1-ol (14916-80-4):


3-OCTYN-1-OL Safety Profile

Safety Information of Oct-3-yn-1-ol (14916-80-4):
Hazard Codes: Xi
Xi :Irritant
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin 
Safety Statements: 26-36-37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36: Wear suitable protective clothing 
37/39: Wear suitable gloves and eye/face protection 
WGK Germany: 3

3-OCTYN-1-OL Specification

Potential Health Effects of Oct-3-yn-1-ol (14916-80-4):
1.Eye: Causes eye irritation. 
2.Skin: Causes skin irritation. May be harmful if absorbed through the skin. 
3.Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. 
4.Inhalation: Causes respiratory tract irritation. May be harmful if inhaled
First Aid Measures of Oct-3-yn-1-ol (14916-80-4):
1.Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. 
2.Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. 
3.Ingestion: Get medical aid. Wash mouth out with water. 
4.Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. 
5.Notes to Physician: Treat symptomatically and supportively. 
Fire Fighting Measures of Oct-3-yn-1-ol (14916-80-4):
1.General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. 
2.Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.   Accidental Release Measures of Oct-3-yn-1-ol (14916-80-4):
1.General Information: Use proper personal protective equipment as indicated in Section 8. 
2.Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.  
Handling and Storage of Oct-3-yn-1-ol (14916-80-4):
1.Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. 
2.Storage: Store in a cool, dry place. Store in a tightly closed container

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