Synonym: Butyrone; Dipropyl ketone
CAS Number: 123-19-3
Empirical Formula (Hill Notation): C7H14O
Molecular Weight: 114.19
EC Number: 204-608-9
MDL Number: MFCD00009403
Linear Formula: (CH3CH2CH2)2CO
Product Type: Chemical
assay | 98% |
bp | 145 °C (lit.) |
density | 0.817 g/mL at 25 °C (lit.) |
functional group | ketone |
InChI | 1S/C7H14O/c1-3-5-7(8)6-4- |
InChI key | HCFAJYNVAYBARA-UHFFFAOYSA |
mp | −33 °C (lit.) |
Quality Level | 100 ![]() |
refractive index | n |
SMILES string | CCCC(=O)CCC |
solubility | alcohol: soluble |
diethyl ether: soluble | |
H2O: insoluble | |
vapor density | 3.93 (vs air) |
vapor pressure | 5.2 mmHg ( 20 °C) |
Application: | 4-Heptanone was used in the quantitative analysis of 4-Heptanone in urine samples by gas chromatography-mass spectrometry. 4-Heptanone was used to evaluate the enantioselectivity and catalytic ability of the 4-hydroxyacetophenone monooxygenase from Pseudomonas fluorescens ACB. |
Biochem/physiol Actions: | 4-Heptanone is the major β-oxidation metabolite of di (2-ethylhexyl) phthalate (plasticizer used in plyvinyl chloride products) in humans. |
General description: | 4-Heptanone is a volatile constituent of human urine. |
Packaging: | 5, 100, 500 mL in glass bottle |
Symbol | ![]() ![]() |
Signal word | Warning |
Hazard statements | H226-H332 |
Hazard Codes | Xn |
Risk Statements | 10-20 |
Safety Statements | 24/25 |
RIDADR | UN 2710 3 / PGIII |
WGK Germany | 2 |
Flash Point(F) | 120.2 °F |
Flash Point(C) | 49 °C |
Purity | 98% |
bp | 145 °C (lit.) |
mp | −33 °C (lit.) |
Density | 0.817 g/mL at 25 °C (lit.) |
Refractive Index | n |
UNSPSC | 12352100 |
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