127280

1-Octyn-3-ol

96%

• Synonym(s): (RS)-1-Octyn-3-ol, (±)-1-Octyn-3-ol, 1-Ethynyl-1-hexanol, 3-Hydroxyoct-1-yne
• Linear Formula: CH₃(CH₂)₄CH(OH)C≡CH
• CAS Number: 818-72-4
• Molecular Weight: 126.20
• Beilstein/REAXYS Number: 1098642
• EC Number: 212-455-4
• MDL number: MFCD00004588
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847775
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 96%
• form: liquid
• refractive index: n20/D 1.441 (lit.)
• bp: 83 °C/19 mmHg (lit.)
• density: 0.864 g/mL at 25 °C (lit.)
• SMILES string: CCCCCC(O)C#C
• InChI: 1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3
• InChI key: VUGRNZHKYVHZSN-UHFFFAOYSA-N

Description

General description

1-Octyn-3-ol is a racemic intermediate formed during the synthesis of enantiomerically pure secondary alcohols with sterically similar substituents.

Application

1-Octyn-3-ol was used in the synthesis of synthetic tricolorin A, a novel tetrasaccharide macrolactone that is a natural herbicide†.

Safety Information

• pictograms: GHS07,GHS09
• signalword: Warning
• hcodes: H302,H400
• pcodes: P264 - P270 - P273 - P301 + P312 - P391 - P501
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Acute 1
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 145.4 °F - closed cup
• flash_point_c: 63 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter