111-81-9
Product Name:
METHYL 10-UNDECENOATE
Formula:
C12H22O2
Synonyms:
10-Undecenoic acid methyl ester;Undecylenic acid methyl ester
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CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Boiling Point | 245.00 to 248.00 °C. @ 760.00 mm Hg |
Melting Point | 27.5 °C |
Solubility | slightly |
Density | 0.885-0.891 (20°) |
Refractive Index | 1.436-1.442 |
Kovats Retention Index | 1397 1396 1395 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 Environment GHS09 |
GHS Hazard Statements |
H410:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
Molecular Weight | 198.30 g/mol |
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XLogP3 | 4.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 10 |
Exact Mass | 198.161979940 g/mol |
Monoisotopic Mass | 198.161979940 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 152 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Methyl undecenate is a fatty acid methyl ester of 10-undecenoic acid. It has a role as a metabolite. It is functionally related to a 10-undecenoic acid.