Methyl 2-methoxybenzoate

CAS No. 606-45-1

Formula: C9H10O3
Basic Info

Formula
C9H10O3
Molecular Weight
166.174
Exact Mass
166.063
LogP
1.4818
PSA
35.53
Synonyms

methoxy-benzoic acid methyl ester

methyl methoxybenzoate

Methyol o-methoxybenzoate

Methyl o-anisate

BENZOIC ACID,2-METHOXY-,METHYL ESTER

2-Methoxybenzoic Acid Methyl Ester

methyl monomethoxybenzoate

Methyl o-methoxybenzoate

Benzoic acid, 2-methoxy-, methyl ester

dimethyl salicylate

o-Methoxybenzoic acid methyl ester

o-Anisic acid,methyl ester

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Properties
Appearance & Physical State
colourless or pale yellow liquid with a warm, herbaceous, floral, spicy odour
Density
1.157
Boiling Point
246-248ºC
Flash Point
113ºC
Refractive Index
1.532-1.534
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Storage Condition
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Info
RTECS
DH3549000
Safety Statements
S26-S37/39
WGK Germany
2
Risk Statements
R36/37/38
HS Code
29189090
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass
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Raman Spectrum Raman : 4880 A,200 M,liquid
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Packed
Active Phase(℃)
OV-1
Retention index
1303.
Temperature Control
150.
Method
isothermal
Comments
Gaschrom; Column length: 1.5 m
Reference
Fedoreev, S.A.Maksimov, O.B.The study of the composition of aromatic esters by gas-liquid chromatographySolid Fuel Chem. (Engl. Transl.)1977, 17-22.
Kovats' RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
1298.
Temperature Control
Method
custom temperature program
Comments
Program: not specified
Reference
Jenett-Siems, K.Schimming, T.Kaloga, M.Eich, E.Siems, K.Gupta, M.P.Witte, L.Hartmann, T.Pyrrolizidine alkaloids of Ipomoea hederifolia and related speciesPhytochemistry1998, 47, 8, 1551-1560.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
VF-5MS
Retention index
1341.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, He; T<sub>start</sub>: 60. C; T<sub>end</sub>: 270. C
Reference
Todua, N.G.Retention Data. NIST Mass Spectrometry Data Center.NIST Mass Spectrometry Data Center, 2011.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-1
Retention index
1362.
Temperature Control
Method
temperature ramp
Comments
25. m/0.2 mm/0.33 μm, 4. K/min; T<sub>start</sub>: 50. C; T<sub>end</sub>: 300. C
Reference
Osorio, C.Alarcon, M.Moreno, C.Bonilla, A.Barrios, J.Garzon, C.Duque, C.Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.)J. Agric. Food Chem.2006, 54, 2, 509-516.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-5
Retention index
1335.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, H2, 3. K/min; T<sub>start</sub>: 60. C; T<sub>end</sub>: 240. C
Reference
Nogueira, P.C.L.Bittrich, V.Shepherd, G.J.Lopes, A.V.Marsaioli, A.J.The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae)Phytochemistry2001, 56, 5, 443-452.
Synthesis Route

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