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CAS No.: | 617-05-0 |
---|---|
Name: | Ethyl 4-hydroxy-3-methoxybenzoate |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C10H12O4 |
Molecular Weight: | 196.203 |
Synonyms: | m-Anisic acid, 4-hydroxy-, ethyl ester;Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester;3-Methoxy-4-hydroxybenzoic acid, ethyl ester;Ethyl 4-hydroxy-3-methoxybenzoate;ethyl 4-hydroxy-3-methoxy-benzoate;3-10-00-01413 (Beilstein Handbook Reference);Vanillic acid, ethyl ester;4-Hydroxy-3-methoxybenzoic acid ethyl ester;4-Hydroxy-3-methoxybenzoic acid ethylester; |
EINECS: | 210-503-9 |
Density: | 1.18 g/cm3 |
Melting Point: | 43-45ºC |
Boiling Point: | 292 ºCat 760 mmHg |
Flash Point: | 122.4ºC |
Appearance: | Burnt coffee odor. |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 22-24/25 |
PSA: | 55.76000 |
LogP: | 1.57750 |
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Molecular Structure of Ethyl vanillate (CAS NO.617-05-0):
IUPAC Name: Ethyl 4-hydroxy-3-methoxybenzoate
Molecular Weight: 196.19988 [g/mol]
Molecular Formula: C10H12O4
XLogP3: 2.1
H-Bond Donor: 1
H-Bond Acceptor: 4
EINECS: 210-503-9
Product Categories: FINE Chemical & INTERMEDIATES; Aromatic Esters
Index of Refraction: 1.528
Molar Refractivity: 51.21 cm3
Molar Volume: 166.2 cm3
Surface Tension: 42.1 dyne/cm
Density: 1.18 g/cm3
Flash Point: 122.4 °C
Enthalpy of Vaporization: 55.28 kJ/mol
Boiling Point: 292 °C at 760 mmHg
Vapour Pressure: 0.00108 mmHg at 25 °C
Appearance: Burnt coffee odor.
Melting Point: 43-45 °C
Classification Code: Drug / Therapeutic Agent; TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06395, | |
rabbit | LDLo | oral | 3gm/kg (3000mg/kg) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 138, 1955. | |
rat | LD50 | subcutaneous | 2gm/kg (2000mg/kg) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 138, 1955. |
Poison by intravenous route. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of Ethyl vanillate (CAS NO.617-05-0):
Safety Statements: 22-24/25
22: Do not breathe dust
24/25: Avoid contact with skin and eyes
RTECS: YW5425000
Ethyl vanillate (CAS NO.617-05-0), its Synonyms are 3-Methoxy-4-hydroxybenzoic acid, ethyl ester ; 4-Hydroxy-3-methoxybenzoic acid ethyl ester ; Ethyl 4-hydroxy-3-methoxybenzoate ; m-Anisic acid, 4-hydroxy-, ethyl ester ; Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester ; Vanillic acid, ethyl ester .