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537764

Sigma-Aldrich

1-Hexyn-3-ol

90%, technical grade

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About This Item

Empirical Formula (Hill Notation):
C6H10O
CAS Number:
105-31-7
Molecular Weight:
98.14
EC Number:
203-286-7
MDL number:
MFCD00014408
UNSPSC Code:
12352100
PubChem Substance ID:
24878247
NACRES:
NA.22

grade

technical grade

Assay

90%

refractive index

n20/D 1.431

bp

118 °C

density

0.873 g/mL at 25 °C

SMILES string

CCCC(O)C#C

InChI

1S/C6H10O/c1-3-5-6(7)4-2/h2,6-7H,3,5H2,1H3

InChI key

LTFTWJYRQNTCHI-UHFFFAOYSA-N

General description

1-Hexyn-3-ol is a terminal propargylic alcohol. It undergoes microwave-accelerated coupling-isomerization reaction (MACIR) with (hetero)aryl halides to afford the corresponding enone.

Application

1-Hexyn-3-ol may be used in the synthesis of racemic 3-hydroxy-2-hexanone. It may also be used in the preparation of 1,2,3-triazoles.

Signal Word

Danger

Hazard Statements

H226,H301,H310,H318

Hazard Classifications

Acute Tox. 3 Oral - Eye Dam. 1 - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

117.0 °F

Flash Point(C)

47.2 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

537764-VAR:
537764-BULK:
537764-5G:
537764-25G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCG1905
MKBF9046V
12227LD

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Yunfan Zou et al.
Journal of chemical ecology, 41(7), 670-677 (2015-07-08)
We report the identification of a novel pheromone structure from males of the cerambycid beetle Tylonotus bimaculatus Haldeman (Cerambycinae: Hesperophanini), a species native to eastern North America. Volatiles collected from adult males contained (2S,4E)-2-hydroxyoct-4-en-3-one (71%), (3R,4E)-3-hydroxyoct-4-en-2-one (15%), (E)-4-octen-2,3-dione (13%), and
Microwave-Accelerated Coupling-Isomerization Reaction (MACIR)?A General Coupling-Isomerization Synthesis of 1, 3-Diarylprop-2-en-1-ones.
Muller TJJ.
Advanced Synthesis & Catalysis, 348(18), 2565-2570 (2006)
Synthesis of New Carbohydrate Derivatives Via 1, 3-Dipolarcycloaddition Reaction.
Sharba AHK, et al.
Journal of Al-Nahrain University, 14(2), 9S-9S (2011)
The synthesis of 1, 1'-disubstituted bis-cyclopropanes by the reaction of substituted propargylic alcohols with CH 2 I 2?R 3 Al.
Ramazanov IR, et al.
Tetrahedron Letters, 50(29), 4233-4235 (2009)

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