ChemicalBook CAS DataBase List 623-05-2

623-05-2

Name	4-Hydroxybenzyl alcohol
CAS	623-05-2
EINECS(EC#)	210-768-0
Molecular Formula	C7H8O2
MDL Number	MFCD00004658
Molecular Weight	124.14
MOL File	623-05-2.mol

Synonyms

4-hydroxybenzenemethanol 4-HYDROXYBENZYL ALCOHOL 4-METHYLOLPHENOL FEMA 3987 HYDROXYBENZYL-4 ALCOHOL P-HYDROXYBENZYL ALCOHOL P-(HYDROXYMETHYL)PHENOL RARECHEM AL BD 0098 4-(Hydroxymethyl)phenol alpha-Hydroxy-p-cresol Benzyl alcohol, p-hydroxy- Gastrodigenin p-Methylolphenol p-Hydroxy Benzyl Alcohol 4-Hydroxy Benzyl Alcohol 4-HYDROXYBENZYL ALCOHOL 98+% 4-HydroxybenzylAlcohol99% p-Hydroxybenzyl Benzenemethanol, 4-hydroxy- PARA-HYDROXYBENZOYLALCOHOL PARA-ALCOHOLPHENOL

Chemical Properties

Appearance	Pink to beige crystalline powder
Melting point	114-122 °C(lit.)
Boiling point	251-253°C
density	1.1006 (rough estimate)
FEMA	3987
refractive index	1.5035 (estimate)
Fp	251-253°C
storage temp.	2-8°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
biological source	synthetic
Odor Type	fruity
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
Major Application	flavors and fragrances
Cosmetics Ingredients Functions	SKIN CONDITIONING
InChI	1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
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. less more
InChIKey	BVJSUAQZOZWCKN-UHFFFAOYSA-N
SMILES	OCc1ccc(O)cc1
LogP	0.21
CAS DataBase Reference	623-05-2(CAS DataBase Reference)
NIST Chemistry Reference	Benzenemethanol, 4-hydroxy-(623-05-2)
EPA Substance Registry System	623-05-2(EPA Substance)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H319-H412
Precautionary statements	P264-P273-P280-P305+P351+P338-P337+P313-P501
Hazard Codes	Xi
Risk Statements	R36:Irritating to the eyes. R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S24/25:Avoid contact with skin and eyes . S36:Wear suitable protective clothing . less more
WGK Germany	3
RTECS	DA4796800
F	8-9-23
Hazard Note	Irritant/Keep Cold/Air Sensitive/Light Sensitive
REACH Registrations	Active
HS Code	29072900
Storage Class	11 - Combustible Solids
Hazard Classifications	Aquatic Chronic 3 Eye Irrit. 2

Hazard Information

Chemical Properties

Pink to beige crystalline powder

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.

Occurrence

Reportedly found in vanilla, Bourbon (Vanilla plantifolia Andrew

Uses

4-Hydroxybenzyl alcohol is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

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

Notclassified

reaction suitability

reagent type: cross-linking reagent

IC 50

IC50 >0.2 mM (human); ALDH5A1: IC50 >1 mM (human); ABAT: IC50 >1 mM (human); Tyrosinase: IC50 >1 mM (Agaricus bisporus)

storage

Store at -20°C

Purification Methods

Crystallise the alcohol from H2O, *C6H6 (m 124o), *C6H6/EtOH or ClCH2CH2Cl (m 122o). [Beilstein 6 III 4546, 6 IV 5909.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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