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3-Heptanol

ALDRICH/109363 - 99%

Synonym: Butyl ethyl carbinol

CAS Number: 589-82-2
Empirical Formula (Hill Notation): C7H16O
Molecular Weight: 116.20
EC Number: 209-661-1
MDL Number: MFCD00004586
Linear Formula: CH3(CH2)3CH(OH)CH2CH3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-109363-25ML 25 mL
 $73.60
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assay 99%
bp 66 °C/20 mmHg (lit.)
density 0.818 g/mL at 25 °C (lit.)
  0.821 g/mL at 20 °C
InChI 1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
InChI key RZKSECIXORKHQS-UHFFFAOYSA-N
Quality Level 100 
refractive index n20/D 1.421 (lit.)
SMILES string CCCCC(O)CC
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.
General description: 3-Heptanol is the main biotransformation product of n-heptane.
Packaging: 25 mL in glass bottle
Symbol GHS02GHS07  GHS02,GHS07
Signal word Warning
Hazard statements H226 - H302
Precautionary statements P210 - P301 + P312 + P330
Hazard Codes Xn
Risk Statements 22
Safety Statements 23-24/25
RIDADR UN 1987C 3 / PGIII
WGK Germany WGK 3
Flash Point(F) 140.0 °F - closed cup
Flash Point(C) 60 °C - closed cup
Purity 99%
bp 66 °C/20 mmHg (lit.)
Density 0.821 g/mL at 20 °C; 0.818 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.421 (lit.)
UNSPSC 12352100

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