Basic information
- Name:
Isovanillin
- CAS No.:
621-59-0
- Molecular Structure:
- Formula:
- C8H8O3
- Molecular Weight:
- 152.16
- Synonyms:
- Isovanillin(6CI);p-Anisaldehyde, 3-hydroxy- (7CI,8CI);2-Methoxy-5-formylphenol;3-Hydroxy-4-anisaldehyde;3-Hydroxy-4-methoxybenzaldehyde;3-Hydroxy-p-anisaldehyde;4-Methoxy-3-hydroxybenzaldehyde;5-Formyl-2-methoxyphenol;5-Formylguaiacol;Isovanillic aldehyde;Benzaldehyde,3-hydroxy-4-methoxy-;
- EINECS:
- 210-694-9
- Density:
- 1.231 g/cm3
- Melting Point:
- 113-116 °C
- Boiling Point:
- 308.1 °C at 760 mmHg
- Flash Point:
- 119.9 °C
- Appearance:
- light tan cyrstalline solid
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36/37-36 Details
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Chemistry
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IUPAC Name: 3-Hydroxy-4-methoxybenzaldehyde
Molecular Formula: C8H8O3
Molecular Weight: 152.14 g/mol
SMILES: O=Cc1ccc(OC)c(O)c1 Copy
InChI: InChI=1/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
EINECS: 210-694-9
Classification Code: Mutation data
Product Categories: FINE Chemical & INTERMEDIATES; Aromatic Aldehydes & erivatives substituted); BenzaldehydeDerivative; Benzaldehyde; Aromatics
Index of Refraction: 1.587
Molar Refractivity: 41.56 cm3
Molar Volume: 123.5 cm3
Surface Tension: 47.3 dyne/cm
Density: 1.231 g/cm3
Flash Point: 119.9 °C
Enthalpy of Vaporization: 57.06 kJ/mol
Boiling Point: 308.1 °C at 760 mmHg
Melting Point: 113-116 °C
Sensitive: Air Sensitive
Vapour Pressure of Isovanillin (CAS NO.621-59-0): 0.000384 mmHg at 25 °C
Uses
Isovanillin (CAS NO.621-59-0) is used as flavor chemical and pharmaceutical intermediate.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | intravenous | 1470mg/kg (1470mg/kg) | Annales Pharmaceutiques Francaises. Vol. 14, Pg. 456, 1956. | |
| rat | LD50 | intraperitoneal | 1276mg/kg (1276mg/kg) | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 243, Pg. 609, 1956. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by intraperitoneal and intravenous routes. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: 
Xi
R36/37/38:Irritating to eyes, respiratory system and skin. Risk Statements: 36/37/38
Safety Statements: 26-36/37-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: CU6540000
Hazard Note of Isovanillin (CAS NO.621-59-0): Irritant
Specification
Isovanillin (CAS NO.621-59-0), its Synonyms are 3-Hydroxy-4-methoxybenzaldehyde ; 3-Hydroxy-p-anisaldehyde ; Isovanilline ; Oxy-3 methoxy-4 benzaldehyde ; Benzaldehyde, 3-hydroxy-4-methoxy- ; p-Anisaldehyde, 3-hydroxy- (8CI) . It is light tan cyrstalline solid.