ChemicalBook CAS DataBase List 589-18-4

589-18-4

Name	4-Methylbenzyl alcohol
CAS	589-18-4
EINECS(EC#)	209-639-1
Molecular Formula	C8H10O
MDL Number	MFCD00004664
Molecular Weight	122.16
MOL File	589-18-4.mol

Synonyms

4-METHYLBENZYL ALCOHOL 4-TOLYL CARBINOL ALPHA-HYDROXY-P-XYLENE METHYLBENZYL ALCOHOL PMAL P-METHYLBENZYL ALCOHOL P-TOLYLCARBINOL RARECHEM AL BD 0113 (4-Methylphenyl)methanol 1-Hydroxymethyl-4-methylbenzene 4-(Hydroxymethyl)toluene 4-Methyl-1-hydroxymethylbenzene 4-methyl-benzenemethano 4-Methyl-benzenemethanol 4-Methylebnzenemethanol 4-methylphenylcarbinol Benzyl alcohol, p-methyl- -Hydroxy-p-xylene p-(Hydroxymethyl)-4-methylbenzene p-methylbenzyl

Chemical Properties

Appearance	white crystalline mass, needles or crystals
Melting point	59-61 °C(lit.)
Boiling point	217 °C(lit.)
density	0,98 g/cm³
vapor pressure	1.6Pa at 25℃
FEMA	4624 \| 4-METHYLBENZYL ALCOHOL
refractive index	1.5265 (estimate)
Fp	116-118°C/20mm
storage temp.	Store at R.T.
form	Crystalline Mass, Needles, or Crystals
pka	14.49±0.10(Predicted)
color	White
Odor	mild floral
Odor Type	floral
Water Solubility	Soluble in methanol, ether and ethanol. Slightly soluble in water.
JECFA Number	2065
BRN	1856550
Henry's Law Constant	9.0×10⁰ mol/(m³Pa) at 25℃, HSDB (2015)
Cosmetics Ingredients Functions	PERFUMING FRAGRANCE SKIN CONDITIONING
InChI	1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
InChIKey	KMTDMTZBNYGUNX-UHFFFAOYSA-N
SMILES	Cc1ccc(CO)cc1
LogP	1.67 at 20℃
Uses	Perfumery, flavoring dyes, laboratory reagent. less more
CAS DataBase Reference	589-18-4(CAS DataBase Reference)
NIST Chemistry Reference	Benzenemethanol, 4-methyl-(589-18-4)
EPA Substance Registry System	589-18-4(EPA Substance)

Safety Data

Hazard Codes	Xi
Risk Statements	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 . S37/39:Wear suitable gloves and eye/face protection . less more
WGK Germany	2
RTECS	DO9370000
TSCA	Yes
REACH Registrations	Active
HS Code	29062990
Storage Class	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2
Hazardous Substances Data	589-18-4(Hazardous Substances Data)

Hazard Information

General Description

Needles or off-white crystalline powder.

Reactivity Profile

P-METHYL BENZYL ALCOHOL(589-18-4) can react with acids, acid chlorides, acid anhydrides and oxidizing agents.

Air & Water Reactions

Slightly soluble in water.

Health Hazard

ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits acrid smoke and toxic fumes of carbon monoxide and carbon dioxide.

Fire Hazard

Flash point data for this chemical are not available. P-METHYL BENZYL ALCOHOL is probably combustible.

Chemical Properties

white crystalline mass, needles or crystals

Definition

ChEBI: A methylbenzyl alcohol in which the methyl substituent is para to the hydroxymethyl group.

Production Methods

p-Tolyl alcohol is commercially prepared by reducing p-tolyl aldehyde. It is used mainly in fragrances, and the major route of exposure is likely to be dermal contact.

Synthesis Reference(s)

The Journal of Organic Chemistry, 52, p. 946, 1987 DOI: 10.1021/jo00381a047

Flammability and Explosibility

Notclassified

Purification Methods

Crystallise the alcohol from pet ether (b 80-100o, 1g/mL), Et2O, pentane or H2O (m 61-62.1o). It can also be distilled in a vacuum. [Beilstein 6 H 498, 6 I 248, 6 II 469, 6 III 1779.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

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