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1002-28-4

1002-28-4 Structure

1002-28-4 Structure
IdentificationMore
[Name]

3-HEXYN-1-OL
[CAS]

1002-28-4
[Synonyms]

3-HEXYN-1-OL
3-Hexyne-1-ol
3-Hexynol
hex-3-yn-1-ol
3-Hexyn-1-ol, 98 %
[EINECS(EC#)]

213-685-8
[Molecular Formula]

C6H10O
[MDL Number]

MFCD00002957
[Molecular Weight]

98.14
[MOL File]

1002-28-4.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR YELLOW LIQUID
[Melting point ]

-34°C (estimate)
[Boiling point ]

63-64 °C12 mm Hg(lit.)
[density ]

0.898 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.454(lit.)
[Fp ]

146 °F
[storage temp. ]

2-8°C
[form ]

clear liquid
[pka]

14.35±0.10(Predicted)
[color ]

Colorless to Light yellow to Light orange
[Specific Gravity]

0.898
[BRN ]

1735911
[InChI]

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,2,5-6H2,1H3
[InChIKey]

ODEHKVYXWLXRRR-UHFFFAOYSA-N
[SMILES]

C(O)CC#CCC
[CAS DataBase Reference]

1002-28-4(CAS DataBase Reference)
[EPA Substance Registry System]

3-Hexyn-1-ol (1002-28-4)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HS Code ]

29052990
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

trans-2-Hexen-1-ol-->TRANS-3-HEXEN-1-OL-->CIS-3-HEXENOIC ACID-->Leaf alcohol-->3-Hexyne, 1-iodo--->(Z)-3,4-dideuteriohex-3-en-1-ol-->(Z)-3,4-dideuteriohex-3-enal-->3-Hexynyl bromide
Hazard InformationBack Directory
[Chemical Properties]

CLEAR YELLOW LIQUID
[Uses]

3-Hexyn-1-ol is an unsaturated alcohol that, when subjected to stereoselective hydrogenation, produces cis-3-Hexen-1-ol (H295005), a compound that is important in the fragrance industry. 3-Hexyn-1-ol also exhibits antifungal properties against Aspergillus oryzae, a fungus that is used to produce fermented foods and beverages in Japan.
[Synthesis Reference(s)]

Tetrahedron Letters, 18, p. 1019, 1977 DOI: 10.1016/S0040-4039(01)92817-5
[General Description]

The stereoselective hydrogenation of 3-hexyn-1-ol was studied. Poly(N-vinyl-2-pyrrolidone)-stabilized Pd-nanoclusters showed an extraordinary catalytic performance in the selective hydrogenation of 3-hexyn-1-ol.
Spectrum DetailBack Directory
[Spectrum Detail]

3-HEXYN-1-OL(1002-28-4)MS
3-HEXYN-1-OL(1002-28-4)1HNMR
3-HEXYN-1-OL(1002-28-4)13CNMR
3-HEXYN-1-OL(1002-28-4)IR1
3-HEXYN-1-OL(1002-28-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Hexyn-1-ol, 98%(1002-28-4)
[Alfa Aesar]

3-Hexyn-1-ol, 98%(1002-28-4)
[Sigma Aldrich]

1002-28-4(sigmaaldrich)
[TCI AMERICA]

3-Hexyn-1-ol,>97.0%(GC)(1002-28-4)
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