4-Hydroxybenzyl alcohol
Synonym(s):4-Hydroxybenzyl alcohol;NSC 227926
- CAS NO.:623-05-2
- Empirical Formula: C7H8O2
- Molecular Weight: 124.14
- MDL number: MFCD00004658
- EINECS: 210-768-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-22 20:27:16
What is 4-Hydroxybenzyl alcohol?
Chemical properties
Pink to beige crystalline powder
Chemical properties
4-Hydroxybenzyl alcohol is a white crystalline powder with slightly fruity-sweet coconut odor
Occurrence
Reportedly found in vanilla, Bourbon (Vanilla plantifolia Andrew
The Uses of 4-Hydroxybenzyl alcohol
4-Hydroxybenzyl alcohol is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
Definition
ChEBI: A member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung.
Preparation
Prepared from p-cresol by using the microorganism, Pseudomonas putida.
General Description
4-Hydroxybenzyl alcohol (HBA) is a phenolic compound found in Gastrodia elata. It is as an antioxidant and anti-asthmatic agent.
Flammability and Explosibility
Not classified
Contact allergens
Methylol phenols are sensitizers contained in resins based on phenol and formaldehyde of the resol type. Cross-reactivity is possible with other phenol derivative molecules.
Precursor
4-Hydroxybenzyl Alcohol can be utilized as a precursor to the synthesizing of:
HBA-integrated copolyoxalate (HPOX) nanoparticles that could be a drug delivery systems.
Poly(4-hydroxybenzyl alcohol) via enzyme catalyzed reactions.
4-Hydroxybenzyl imidazole derivatives.
The Uses of 4-Hydroxybenzyl alcohol
4-hydroxybenzyl alcohol is the cleavage product produced during the biosynthesis of the thiazole moiety of thiamine from tyrosine as part of the thiamine biosynthesis pathway. It is a derivative of benzyl alcohol which is used as a local anesthetic and to reduce pain associated with Lidocaine injection. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutical aid, and in perfumery and flavoring.
Purification Methods
Crystallise the alcohol from H2O, *C6H6 (m 124o), *C6H6/EtOH or ClCH2CH2Cl (m 122o). [Beilstein 6 III 4546, 6 IV 5909.]
Properties of 4-Hydroxybenzyl alcohol
Melting point: | 114-122 °C(lit.) |
Boiling point: | 251-253°C |
Density | 1.1006 (rough estimate) |
refractive index | 1.5035 (estimate) |
FEMA | 3987 | 4-HYDROXYBENZYL ALCOHOL |
Flash point: | 251-253°C |
storage temp. | Store below +30°C. |
solubility | 6.7g/l soluble |
form | Crystalline Powder |
pka | pK1:9.82 (25°C) |
color | Pink to beige |
Odor | at 100.00 %. fruity bitter almond sweet coconut |
Water Solubility | Soluble in water (6.7 mg/ml at 20°C), dioxane (100 mg/ml), 1N NaOH (50 mg/ml), DMSO, and methanol. |
Sensitive | Light Sensitive/Air Sensitive |
JECFA Number | 955 |
BRN | 1858967 |
CAS DataBase Reference | 623-05-2(CAS DataBase Reference) |
NIST Chemistry Reference | Benzenemethanol, 4-hydroxy-(623-05-2) |
EPA Substance Registry System | 4-Hydroxybenzenemethanol (623-05-2) |
Safety information for 4-Hydroxybenzyl alcohol
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H319:Serious eye damage/eye irritation H412:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P337+P313:IF eye irritation persists: Get medical advice/attention. P501:Dispose of contents/container to..… |
Computed Descriptors for 4-Hydroxybenzyl alcohol
InChIKey | BVJSUAQZOZWCKN-UHFFFAOYSA-N |
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Moleculochem
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