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Cas Database |
| Name |
5-Hydroxyvanillin |
EINECS | 223-513-3 |
| CAS No. | 3934-87-0 | Density | 1.378 g/cm3 |
| PSA | 66.76000 | LogP | 0.91890 |
| Solubility | N/A | Melting Point |
131-134 °C |
| Formula | C8H8O4 | Boiling Point | 339.9 °C at 760 mmHg |
| Molecular Weight | 168.149 | Flash Point | 143.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Protocatechualdehyde,5-methoxy- (7CI,8CI);3,4-Dihydroxy-5-methoxybenzaldehyde;3-Methoxy-4,5-dihydroxybenzaldehyde;4,5-Dihydroxy-3-methoxybenzaldehyde;NSC 16679; |
Article Data | 40 |
5-Hydroxyvanillin Chemical Properties
IUPAC Name: 3,4-Dihydroxy-5-methoxybenzaldehyde
Synonyms of Benzaldehyde,3,4-dihydroxy-5-methoxy- (CAS NO.3934-87-0): 3,4-Dihydroxy-5-methoxybenzaldehyde ; 4-08-00-02718 (Beilstein Handbook Reference) ; 5-Hydroxyvanillin ; 5-Methoxyprotocatechualdehyde ; BRN 1956546 ; EINECS 223-513-3 ; NSC 16679 ; Protocatechualdehyde, 5-methoxy- ; Protocatechualdehyde, 5-methoxy- (8CI)
CAS NO: 3934-87-0
Classification Code: Drug / Therapeutic Agent
Molecular Formula: C8H8O4
Molecular Weight: 168.1467
Molecular Structure:
.png)
Melting Point: 131-134°C
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 4
Polar Surface Area: 44.76 Å2
Index of Refraction: 1.63
Molar Refractivity: 43.44 cm3
Molar Volume: 121.9 cm3
Surface Tension: 59.7 dyne/cm
Density of Benzaldehyde,3,4-dihydroxy-5-methoxy- (CAS NO.3934-87-0): 1.378 g/cm3
Flash Point: 143.1 °C
Enthalpy of Vaporization: 60.65 kJ/mol
Boiling Point: 339.9 °C at 760 mmHg
Vapour Pressure: 4.54E-05 mmHg at 25°C
5-Hydroxyvanillin Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 650mg/kg (650mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Journal of Medicinal Chemistry. Vol. 7, Pg. 178, 1964. |
5-Hydroxyvanillin Safety Profile
Hazard Codes of Benzaldehyde,3,4-dihydroxy-5-methoxy- (CAS NO.3934-87-0): 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
RTECS: CU5620000
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