Basic information
- Name:
3,5-Dimethoxy-4-hydroxybenzaldehyde
- CAS No.:
134-96-3
- Molecular Structure:
- Formula:
- C9H10O4
- Molecular Weight:
- 182.19
- Synonyms:
- 2,6-Dimethoxy-4-formylphenol;4-Hydroxy-3,5-dimethoxybenzaldehyd;4-Hydroxy-3,5-dimethoxybenzaldehyde;4-Hydroxy-3,5-diméthoxybenzaldéhyde;4-Hydroxy-3,5-dimethoxybenzolcarbaldehyd;benzaldehyde, 4-hydroxy-3,5-dimethoxy-;
- EINECS:
- 205-167-5
- Density:
- 1.234 g/cm3
- Melting Point:
- 110-113 °C(lit.)
- Boiling Point:
- 322.1 °C at 760 mmHg
- Flash Point:
- 130.1 °C
- Solubility:
- very sparingly soluble
- Appearance:
- light yellow-green to brown crystalline powder
- Hazard Symbols:
Xi
Xn- Risk Codes:
- R36/37/38
- Safety Description:
- S26;S37/39 Details
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Chemistry
The Molecular formula of 3,5-Dimethoxy-4-hydroxybenzaldehyde (CAS NO.134-96-3): C9H10O4
The Molecular Weight of 3,5-Dimethoxy-4-hydroxybenzaldehyde (CAS NO.134-96-3): 182.17
Molecular Structure : 
EINECS: 205-167-5
Melting point: 110-113 °C(lit.)
Boiling Point: 322.1 °C at 760 mmHg
Water Solubility: very sparingly soluble
Sensitive: Air Sensitive
Merck: 14,9015
BRN: 784514
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 44.76Å2
Flash Point: 130.1 °C
Index of Refraction: 1.567
Molar Refractivity: 48.24 cm3
Molar Volume: 147.5 cm3
Polarizability: 19.12*10 -24 cm3
Surface Tension: 44.3 dyne/cm
Density: 1.234 g/cm3
Enthalpy of Vaporization: 58.64 kJ/mol
Vapour Pressure: 0.000151 mmHg at 25°C
IUPAC Name: 4-hydroxy-3,5-dimethoxybenzaldehyde
InChI
InChI=1/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3
Smiles
c1(c(c(cc(c1)C=O)OC)O)OC
Product Categories: Aromatic Aldehydes & Derivatives (substituted)
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1g/kg (1000mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Journal of Medicinal Chemistry. Vol. 7, Pg. 178, 1964. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating fumes. See also aldehydes.
The Hazard Codes of 3,5-Dimethoxy-4-hydroxybenzaldehyde (CAS NO.134-96-3): 
Xn,
Xi
The Risk Statements information of 3,5-Dimethoxy-4-hydroxybenzaldehyde (CAS NO.134-96-3):
22: Harmful if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information of 3,5-Dimethoxy-4-hydroxybenzaldehyde (CAS NO.134-96-3):
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37/39: Wear suitable gloves and eye/face protection
WGK Germany: 3
RTECS: CU5760000
Hazard Note: Irritant
HS Code: 29124900
Specification
3,5-Dimethoxy-4-hydroxybenzaldehyde , with CAS number of 134-96-3, can be called 2,6-Dimethoxy-4-formylphenol ; 4-Hydroxy-3,5-dimethoxybenzaldehyd ; 4-Hydroxy-3,5-dimethoxybenzaldehyde ; 4-Hydroxy-3,5-diméthoxybenzaldéhyde ; 4-Hydroxy-3,5-dimethoxybenzolcarbaldehyd ; benzaldehyde, 4-hydroxy-3,5-dimethoxy- . It is a light yellow-green to brown crystalline powder.
