Salicyl alcohol (CED0013925)

Record Information

Version

1.0

Creation Date

2016-05-22 05:21:57 UTC

Update Date

2026-04-17 19:33:29 UTC

Accession Number

CHEM018589

Identification

Common Name

Salicyl alcohol

Class

Small Molecule

Description

Salicyl alcohol is an organic compound with the chemical formula C7H8O2 and an average molecular weight of 124.14 g/mol. Salicyl alcohol belongs to the benzyl alcohols, a subclass of benzene and substituted derivatives within the organic compounds. This compound is associated with 16 recorded sources across several categories. Within the sector of electrical and electronic equipment, it is found in or released from antennas, conductors or conductive bodies characterised by the conductive materials, cores yokes or armatures, electric switches, and electrodes. In the context of household cleaning and consumer products, the compound is linked to bleaching agents, soap detergents, and perfumes within detergents and soaps, as well as tobacco smoke filters. Additionally, salicyl alcohol is found in food, food processing, and cookware, specifically regarding food preservation, processing meats, and fermentation processes for beer. Finally, it is released from sources in building and construction, such as tents or canopies.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-(Hydroxymethyl)phenol	ChEBI
Saligenin	ChEBI
2-Monomethylolphenol	HMDB
O-Hydroxybenzyl alcohol	HMDB
Salicyl alcohol, monosodium salt	HMDB
Salicyl alcohol, disodium salt	HMDB
2-Methylol phenol	HMDB
Salicyl alcohol, (ar)-isomer	HMDB
2-Hydroxybenzyl alcohol	ChEBI
Salicyl alcohol	MeSH

Chemical Formula

C₇H₈O₂

Average Molecular Mass

124.137 g/mol

Monoisotopic Mass

124.052 g/mol

CAS Registry Number

90-01-7

IUPAC Name

2-(hydroxymethyl)phenol

Traditional Name

saligenin

SMILES

OCC1=C(O)C=CC=C1

InChI Identifier

InChI=1S/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2

InChI Key

CQRYARSYNCAZFO-UHFFFAOYSA-N

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
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Organic oxygen compound
Hydrocarbon derivative
Aromatic alcohol
Primary alcohol
Organooxygen compound
Alcohol
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

aromatic primary alcohol (CHEBI:16464 )
hydroxybenzyl alcohol (CHEBI:16464 )
a small molecule (CPD-173 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	67.7 g/L	ALOGPS
logP	0.4	ALOGPS
logP	0.9	ChemAxon
logS	-0.26	ALOGPS
pKa (Strongest Acidic)	9.92	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	40.46 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	34.85 m³·mol⁻¹	ChemAxon
Polarizability	12.73 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum	splash10-054k-1930000000-f8172fe371c17c74ba94	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-054k-1930000000-f8172fe371c17c74ba94	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-05fv-9600000000-4b83c8fac9165343d720	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0fmi-9820000000-764178277b32a178f19d	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-05fr-0900000000-8830e8db8fe9e6fc2cff	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-056r-0900000000-26796fdc9610ea856527	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-2900000000-def588b8f7c1a2eba3a6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0kdi-9300000000-ec394c5392261ee22353	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-1900000000-d7edee8f33d4463aca0a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-006x-7900000000-f516d939b84e1234ef9a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-43ab8019010e4f0e942b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a6r-2900000000-6d392cc36741f85addec	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a6r-8900000000-acdbc06ff746a237eaab	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fvi-9000000000-85b945b4c4c6044e65c6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-006x-9800000000-3d5053269318518fc789	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-4900000000-39a17328b495f62bd398	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00r6-9200000000-4f70aa55c8e8f60072f6	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
985.0	Log mg/kg	[550:1800]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
233	Brushes	Personal care & cosmetics	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
511	Conductors Or Conductive Bodies Characterised By The Conductive Materials	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
519	Electrodes	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
524	Hybrid Capacitors	Electrical & Electronic Equipment	Not Available
540	X Ray Tubes	Electrical & Electronic Equipment	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
552	Processing Meats	Food, food processing & cookware	Not Available
555	Bleaching Agents	Household cleaning & consumer products	Not Available
561	Perfumes Within Detergents And Soaps	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
569	Tobacco Smoke Filters	Household cleaning & consumer products	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
596	Acaricides	Agriculture & land management	Not Available
600	Herbicides And Algicides	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
609	Aftershave	Personal care & cosmetics	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
611	Anti Perspirants Or Body Deoderants	Personal care & cosmetics	Not Available
614	Essential Oils Or Perfumes	Personal care & cosmetics	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
619	Manicure Pedicure	Personal care & cosmetics	Not Available
625	Racing Sports	Recreation & sports surfaces	Not Available
632	Apparel	Textiles, leather & furnishings	Not Available
642	Footwear	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available
657	Surface Finishing Of Leather	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	101.048
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	109.222
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	6.85073
Click to view 3D structure	Indoleamine 2,3-dioxygenase 1	P14902	Humans	Predicted (SEA)	22.8877
Click to view 3D structure	Transcription factor SOX-18	P43680	Mus musculus	Predicted (SEA)	6.22794
Click to view 3D structure	Transcription factor SOX-18	P35713	Humans	Predicted (SEA)	6.22794
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	349.232
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	117.319
Click to view 3D structure	N1L	Q49PX0	Vaccinia virus	Predicted (SEA)	0.389246
Click to view 3D structure	Trans-cinnamate 4-monooxygenase	Q04468	Helianthus tuberosus	Predicted (SEA)	7.31783
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	214.475
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P12527	Rattus norvegicus	Predicted (SEA)	83.6879
Click to view 3D structure	Tyrosinase	O42713	Agaricus bisporus	Predicted (SEA)	24.6782
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	284.539
Click to view 3D structure	Arachidonate 5-lipoxygenase	Q9BEG3	Bos taurus	Predicted (SEA)	0.700643
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	1283.73
Click to view 3D structure	Thioredoxin reductase 2, mitochondrial	Q9Z0J5	Rattus norvegicus	Predicted (SEA)	0.389246
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	108.444
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	1217.95
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	825.28
Click to view 3D structure	5-hydroxytryptamine receptor 1D	P28221	Humans	Predicted (SEA)	564.64
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	546.813
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	198.126
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	1071.75
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	1005.03