4-Hydroxybenzaldehyde
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4-Hydroxybenzaldehyde
structure -
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CAS No:
123-08-0
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Formula:
C7H6O2
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Chemical Name:
4-Hydroxybenzaldehyde
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Synonyms:
Benzaldehyde,4-hydroxy-;Benzaldehyde,p-hydroxy-;4-Hydroxybenzaldehyde;4-Formylphenol;p-Formylphenol;p-Oxybenzaldehyde;Parahydroxybenzaldehyde;p-Hydroxybenzaldehyde;NSC 2127;1187488-60-3
- Categories:
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CAS No:
Description
p-Hydroxybenzaldehyde is a one of the major components in Dendrocalamus asper bamboo shoots, with antagonistic effect on GABAA receptor of the α1β2γ2S subtype at high concentrations.
Solid|Beige powder; vanillic/nutty odour
4-hydroxybenzaldehyde is a hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. It has a role as a plant metabolite, a mouse metabolite and an EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor.
4-Hydroxybenzaldehyde Basic Attributes
122.12100
122.12
204-599-1
O1738X3Y38
2127
DTXSID8059552
2912210000
Characteristics
37.30000
1.4
yellow to light brown crystalline powder
1.1364 g/cm3 @ Temp: 119.6 °C
117 °C
310 °C
101.3ºC
1.57055 (130ºC)
H2O: 13 g/L (30 ºC)
Store at 2-8ºC
0.0171mmHg at 25°C
5.11e-10 atm-m3/mole
7.61 (at 25 °C)
118.2 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|121.6 Ų [M-H]-
Safety Information
I; II; III
NONH for all modes of transport
2
R36/37/38
S24/25
CU6475000
Xi
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P305 + P351 + P338
H315-H319-H335
Not Classified
4-Hydroxybenzaldehyde Use and Manufacturing
1. Widely used starting material for polymers and pharmaceuticals.
2. 4-Hydroxybenzaldehyde maintains bactericidal activity when tested against certain bacteria strains. It also displays antioxidant potential when analyzed through assay.
3. It's the important intermediates of pharmaceutical industry and spices. In foreign , it's also used for synthesis of bromoxynil and chloroxynil which are kind of herbicides, and also used in the manufacture of bactericide, photographic emulsifier, nickel plating luster agent, liquid crystal, etc; In the pharmaceutical field, it can be used for synthesis of amoxicillin, antibacterial synergistic agent named TMP, 3,4,5-Trimethoxybenzaldehyde锛孉rtificial gastrodia elata, farrerol, esmololhydrochloride; In the spicery field, it can be used for synthesis of spicery,for example: vanillin, ethyl vanillin, piperonal, springaldehyde, p-anisaldehyde, raspberry ketone natural,etc.
Benzaldehyde, 4-hydroxy-: ACTIVE|Benzaldehyde, 4-hydroxy-, homopolymer: INACTIVE|XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:122.12
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:122.036779430
Monoisotopic Mass:122.036779430
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:93.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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