109363

3-Heptanol

99%

• Synonym(s): Butyl ethyl carbinol
• Linear Formula: CH₃(CH₂)₃CH(OH)CH₂CH₃
• CAS Number: 589-82-2
• Molecular Weight: 116.20
• Beilstein/REAXYS Number: 1719067
• EC Number: 209-661-1
• MDL number: MFCD00004586
• UNSPSC Code: 12352100
• eCl@ss: 39020218
• PubChem Substance ID: 24846909
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 99%
• refractive index: n20/D 1.421 (lit.)
• bp: 66 °C/20 mmHg (lit.)
• density: 0.821 g/mL at 20 °C; 0.818 g/mL at 25 °C (lit.)
• SMILES string: CCCCC(O)CC
• InChI: 1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
• InChI key: RZKSECIXORKHQS-UHFFFAOYSA-N

Description

General description

3-Heptanol is the main biotransformation product of n-heptane.

Application

3-Heptanol can be used:

• As a solvent to form microenvironments around single-walled carbon nanotubes.
• To prepare substituted pyrimidine derivatives as C1 domain-targeted isophthalate analogs to study their binding affinities towards PKCα isoform.
• As a building block to synthesize 4-(3-adamantan-1-yl-ureido)-butyric acid and cyclohexanecarboxylic acid derivatives as sEH inhibitors.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H302
• pcodes: P210 - P301 + P312 + P330
• Hazard Classifications: Acute Tox. 4 Oral - Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 140.0 °F - closed cup
• flash_point_c: 60 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter