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93-15-2

93-15-2 structural image
Product Name: Methyl eugenol
Formula: C11H14O2
Synonyms: 4-Allyl-1,2-dimethoxybenzene;Eugenol methyl ether;Eugenyl methyl ether
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Methyleugenol is a clear colorless to pale yellow liquid with a spicy earthy odor. Bitter burning taste. (NTP, 1992)
Color/Form Crystals from hexane
Odor Mild-spicy, slightly herbal odor
Taste BITTER, BURNING TASTE
Boiling Point 490.5 °F at 760 mmHg (NTP, 1992)
Melting Point 25 °F (NTP, 1992)
Flash Point 210 °F (NTP, 1992)
Solubility less than 1 mg/mL at 66 °F (NTP, 1992)
Density 1.0396 at 68 °F (NTP, 1992) - Denser than water; will sink
Vapor Density greater than 1.0 (NTP, 1992) (Relative to Air)
Vapor Pressure 0.02 mmHg at 68 °F ; 1 mmHg at 185.0 °F (NTP, 1992)
Stability/Shelf Life Stable to air, heat and light.
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Refractive Index Index of refraction = 1.5340 at 20 °C/D
Collision Cross Section 138.94 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]
Kovats Retention Index 1402 1378 1385 1367 1371 1369 1403 1402 1401 1364 1372 1371 1369 1368 1384 1376 1376 1370 1373 1370 1377 1371 1372 1360 1369 1368 1373 1402 1361 1371 1366 1374 1372 1372 1379 1383 1375 1376 1373 1368 1374 1370 1374 1403 1374 1368 1403 1404 1389 1364 1373 1367 1402 1375 1368 1369 1370 1371 1392 1365 1373 1359 1373 1365.1 1380 1368 1371 1376 1375 1367 1367 1367 1367 1370 1370 1393 1375 1367 1378 1377 1415 1378 1370 1384 1373 1373 1371 1372 1380.3 1369 1368 1377 1372 1365.4
Other Experimental Properties Forms azeotropic mixtures with ethylene glycol (31.5%), eugenol (55%), benzoic acid (11%) & others.
Chemical Classes Other Classes -> Ethers, Other

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H341:Germ cell mutagenicity
H351:Carcinogenicity
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P201:Obtain special instructions before use.
P273:Avoid release to the environment.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 178.23 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 178.099379685 g/mol
Monoisotopic Mass 178.099379685 g/mol
Topological Polar Surface Area 18.5 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 156
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

Methyleugenol is a clear colorless to pale yellow liquid with a spicy earthy odor. Bitter burning taste. (NTP, 1992)

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JSK Chemicals

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