4-甲基苯甲醇

Description

4-Methylbenzyl alcohol · CAS 31831-37-5 · C8H10O. UNII EXZ915A627. Boiling Point: 423 °F at 760 mmHg (NTP, 1992); Boiling Point: 217 °C; Boiling Point: 217.00 to 218.00 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	31831-37-5
PubChem CID	11505
Molecular formula	C8H10O
IUPAC name	(4-methylphenyl)methanol
UNII (FDA)	EXZ915A627
FEMA number	4624
JECFA number	2065

Computed Descriptors

Molecular Weight	122.16
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	122.073164938
Monoisotopic Mass	122.073164938
Topological Polar Surface Area	20.2
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	423 °F at 760 mmHg (NTP, 1992)
Boiling Point	217 °C
Boiling Point	217.00 to 218.00 °C. @ 760.00 mm Hg
Melting Point	138 to 142 °F (NTP, 1992)
Melting Point	61.5 °C
Melting Point	61 - 62 °C
Solubility	1 to 10 mg/mL at 70.7 °F (NTP, 1992)
Solubility	In water, 0.063 M (7,710 mg/L) at 25 °C
Solubility	7710 mg/L @ 25 °C (exp)
Density	0.978 g/cu cm at 22 °C

Physical description & handling notes

• P-methyl benzyl alcohol appears as needles or off-white crystalline powder. (NTP, 1992)
• White solid; [HSDB] White crystalline solid; [Alfa Aesar MSDS]
• Solid
• White solid; Weak floral aroma
• Needles from ligroin
• White crystalline powder

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Floral No safety concern at current levels of intake when used as a flavouring agent TRS 960-JECFA 73/108

GHS Hazard Classification

Reported hazard statements	H315 (16.4%), H319 (100%), H335 (16%)

Documented Uses

• A pulmonary metabolite of para-xylene. [ChemIDplus] Used in fragrances, flavoring, and as a laboratory reagent; [HSDB]
• Perfumery, flavoring dyes, laboratory reagent.
• It is used mainly in fragrances... .
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• p-Tolyl alcohol is commercially prepared by reducing p-tolyl aldehyde.

Synonyms

4-Methylbenzyl alcohol; 589-18-4; (4-Methylphenyl)methanol; p-Tolylcarbinol; P-METHYLBENZYL ALCOHOL; Benzenemethanol, 4-methyl-; 4-Tolylcarbinol; 4-(Hydroxymethyl)toluene; p-Toluyl alcohol; 4-methylbenzenemethanol; alpha-Hydroxy-p-xylene; Benzyl alcohol, p-methyl-; p-Methylbenzylalcohol; 4-Methyl-benzenemethanol; 4-Methyl benzenemethanol; DTXSID5025574

Frequently Asked Questions

What are the CAS number and molecular formula of 4-Methylbenzyl alcohol?

CAS 31831-37-5; molecular formula C8H10O; molecular weight — g/mol.

What other names is 4-Methylbenzyl alcohol known by?

4-Methylbenzyl alcohol, 589-18-4, (4-Methylphenyl)methanol, p-Tolylcarbinol, P-METHYLBENZYL ALCOHOL, Benzenemethanol, 4-methyl-.

What is the regulatory status of 4-Methylbenzyl alcohol?

Documented regulatory listings: FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; FLAVOURING_AGENT: Flavouring Agent; Flavoring Agents.

Is 4-Methylbenzyl alcohol classified as hazardous?

Hazard statements reported: H315, H319, H335.

What are the key physical properties of 4-Methylbenzyl alcohol?

Boiling Point: 423 °F at 760 mmHg (NTP, 1992); Boiling Point: 217 °C; Boiling Point: 217.00 to 218.00 °C. @ 760.00 mm Hg; Melting Point: 138 to 142 °F (NTP, 1992).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.