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CAS Number: 14476-37-0
undecan-4-one

Structure

 undecan-4-one
Name: undecan-4-one
Synonyms:
General Information
Product Number: 14476370
CAS Number:
14476-37-0
Name:
4-Undecanone
Heptyl propyl ketone; NSC 158509 
Chemical Formula: C11H22O
Exact Mass: 170.17
Molecular Weight: 170.29
m/z: 170.17 (100.0%), 171.17 (12.2%)
Elemental Analysis: C, 77.58; H, 13.02; O, 9.40
InChI: InChI=1S/C11H22O/c1-3-5-6-7-8-10-11(12)9-4-2/h3-10H2,1-2H3
InChIKey: NBSLHMOSERBUOV-UHFFFAOYSA-N
Canonical SMILES : CCCCCCCC(=O)CCC
MDL Number MFCD00048923
 

GHS

Signal Word Warning
Hazard Statements
  • H227
  • :Combustible liquid.
Precautionary Statements
  • P210
  • :Keep away from flames and hot surfaces.
  • P280
  • :Wear protective gloves/protective clothing/eye protection/face protection.
  • P403+P235
  • :Store in a well-ventilated place. Keep cool.
  • P501
  • :Dispose of contents/container through a waste management company authorized by the local government
 
Thermal Properties Value Condition Note
Boiling Point 106-107 °C Press: 12 Torr (1)CAS
Boiling Point 92 °C Press: 6 Torr (2)CAS
Boiling Point 69-73 °C Press: 0.4 Torr (3)CAS
Melting Point 4.5 °C   (8)SRC
Melting Point 4-5 °C   (1)CAS

Specification

98%
References
  1. (1) V. Braun, Julius; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1929, V62B, P2880-5 CAPLUS
  2. (2) Nikishin, G. I.; Zhurnal Organicheskoi Khimii 1966, V2(11), P1918-23 CAPLUS
  3. (3) Glinski, M.; Polish Journal of Chemistry 2004, V78(2), P299-302 CAPLUS
  4. (4) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  5. (5) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  6. (6) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  7. (7) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  8. (8) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
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