FComEx: Benzyl alcohol (PC000586)

Record Information

Version

1.0

Creation date

2015-10-09 22:31:23 UTC

Update date

2017-01-19 02:36:29 UTC

FoodComEx ID

PC000586

FoodDB Record

FDB008745

Chemical Information

Name

Benzyl alcohol

Description

"alpha-Toluenol or benzyl alcohol, belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure. alpha-Toluenol is a colorless liquid with a sharp burning taste and slight odor. It is used as a local anesthetic and to reduce pain associated with lidocaine injections. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutical aid, and in perfumery and flavoring. alpha-Toluenol is an aromatic alcohol used in a wide variety of cosmetic formulations as a fragrance component, preservative, solvent, and viscosity-decreasing agent. alpha-Toluenol is metabolized to benzoic acid, which reacts with glycine and is excreted as hippuric acid from the human body. Acceptable daily intakes were established by the World Health Organization at 5 mg/kg for alpha-Toluenol. No adverse effects of alpha-toluenol have been seen in chronic exposure animal studies using rats and mice. Benzyl alcohol is not a sensitizer at 10%. It could be used safely at concentrations up to 5%, but manufacturers should consider the nonimmunologic phenomena when using benzyl alcohol in cosmetic formulations designed for infants and children. Additionally, benzyl alcohol is considered safe up to 10% for use in hair dyes. Benzyl alcohol is produced naturally by many plants and is commonly found in fruits and teas. It is found in a variety of essential oils including jasmine, hyacinth and ylang-ylang, both free and as esters and is also present in cherry, orange juice, mandarin peel oil, guava fruit, feijoa fruit, pineapple, leek, cinnamon, cloves, mustard, fermented tea, basil and red sage. Flavouring ingredient benzyl alcohol is a colorless liquid with a mild pleasant aromatic odor. It is a useful solvent due to its polarity, low toxicity, and low vapor pressure. Benzyl alcohol is found in many foods, some of which are towel gourd, cloud ear fungus, angelica, and safflower. "

CAS Number

100-51-6

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Synonym	Source
.alpha.-hydroxytoluene	HMDB
.alpha.-toluenol	HMDB
(Hydroxymethyl)benzene	ChEBI
α-Hydroxytoluene	biospider
α-Toluenol	biospider
a-Hydroxytoluene	db_source
a-Toluenol	biospider
Alcoholum benzylicum	ChEBI
Alcool benzylique	ChEBI
alpha-Hydroxytoluene	biospider
alpha-Toluenol	biospider
Aromatic alcohol	ChEBI
Aromatic primary alcohol	HMDB
Bentalol	HMDB
Benzal alcohol	biospider
Benzene carbinol	biospider
Benzenecarbinol	db_source
Benzenemethanol	ChEBI
Benzenemethanol, 9CI	db_source
Benzenmethanol	HMDB
Benzoyl alcohol	biospider
Benzyl alkohol	HMDB
Benzyl-alcohol	HMDB
Benzylalcohol	biospider
Benzylalkohol	ChEBI
Benzylic alcohol	biospider
Benzylicum	HMDB
Caswell no. 081F	HMDB
Enzylalcohol	HMDB
Euxyl k 100	HMDB
FEMA 2137	db_source
Hydroxymethylbenzene	db_source
Hydroxytoluene	biospider
Itch-x	HMDB
MBN	HMDB
Methanol benzene	biospider
Pentadeoterobenzyl alcohol	biospider
Peruvin?	db_source
Phenolcarbinol	biospider
Phenyl methanol	biospider
Phenylcarbinol	db_source
Phenylcarbinolum	HMDB
Phenylmethanol	db_source
Phenylmethyl alcohol	biospider
Sunmorl bk 20	HMDB
TB 13g	HMDB
α-hydroxytoluene	Generator
α-toluenol	Generator

Chemical Formula

C7H8O

IUPAC name

phenylmethanol

InChI Identifier

InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2

InChI Key

WVDDGKGOMKODPV-UHFFFAOYSA-N

Isomeric SMILES

OCC1=CC=CC=C1

Average Molecular Weight

108.1378

Monoisotopic Molecular Weight

108.057514878

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzyl alcohols

Direct Parent

Benzyl alcohols

Alternative Parents

Substituents

Benzyl alcohol
Organic oxygen compound
Hydrocarbon derivative
Aromatic alcohol
Primary alcohol
Organooxygen compound
Alcohol
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

benzyl alcohols (CHEBI:17987 )
an aromatic compound (BENZYL-ALCOHOL )

Physico-Chemical Properties - Experimental

Property	Value	Reference
Experimental logP	1.10	HANSCH,C ET AL. (1995)
Experimental Water Solubility	42.9 mg/mL at 25 oC	YALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting Point	Fp -15.2°	DFC

Foods of Origin