3-Hydroxybenzaldehyde (HCID 101)

Overview

3-hydroxybenzaldehyde is a hydroxybenzaldehyde carrying a hydroxy substituent at position 3.

Names & identifiers

Preferred name: 3-Hydroxybenzaldehyde
IUPAC: 3-hydroxybenzaldehyde
English name: 3-Hydroxybenzaldehyde
Molecular formula: C7H6O2
Molecular weight: 122.12

Names & synonyms

3-hydroxybenzaldehyde100-83-4m-Hydroxybenzaldehydem-FormylphenolBenzaldehyde, 3-hydroxy-3-Formylphenolmeta-HydroxybenzaldehydeBenzaldehyde, m-hydroxy-3-oxidanylbenzaldehydeDTXSID7059220NSC-35048Z2819J40E

Show more names

hydroxybenzaldehydeMHB3-hydroxy-benzaldehydRoxatidine Impurity 33-HydroxybenzaL

CHEBI:16207RefChem:94257DTXCID8032461202-892-93-HYDROXY-BENZALDEHYDEMFCD000033683-hydroxy benzaldehydeNSC 3504

Database identifiers

CAS: 100-83-4
PubChem CID: 101
DTXSID: DTXSID7059220
ChEMBL: CHEMBL243816
ChEBI: CHEBI:16207
UNII: 8Z2819J40E
EC Number: 202-892-9
Nikkaji: J43.313F

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 101

Experimental & physicochemical properties

Chemical Classes · 2 items

Other Classes -> Benzaldehydes

Industrial compound

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

PesticidesInsecticides

LogP1.29

Vapor Pressure0.01 [mmHg]

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 100 · 100-103 °C(lit.)
Boiling point: 191 °C50 · 191 °C50 mm Hg(lit.)
Density: 1.1179 · 1.1179
refractive index: 1.5286 · 1.5286 (estimate)
Flash point: 191 °C/50mm · 191°C/50mm
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: Soluble in DMSO and Methanol
form: Crystalline Powder
pka: 8.98 · 8.98(at 25℃)
color: faintly yellow to light brown
PH: 3 · 3-4 (H2O, 20℃)(saturated solution)
Water Solubility: SOLUBLE
Sensitive: Air Sensitive
BRN: 507099 · 507099
Henry's Law Constant: 3.9 · 3.9×103 mol/(m3Pa) at 25℃, Gaffney and Senum (1984)
Major Application: food and beveragespersonal carepharmaceutical
InChI: 1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
InChIKey: IAVREABSGIHHMO-UHFFFAOYSA-N
SMILES: Oc1cccc(C=O)c1
LogP: 1.29 · 1.290
CAS DataBase Reference: 100 · 100-83-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 8 Z2819J40E · 8Z2819J40E
NIST Chemistry Reference: 3 · Benzaldehyde, 3-hydroxy-(100-83-4)
EPA Substance Registry System: 3 · Benzaldehyde, 3-hydroxy- (100-83-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-24/25
WGK Germany: 3 · 3
RTECS: 6450000 · CU6450000
F: 8 · 8-9-23
TSCA: TSCA listed
HS Code: 29124900 · 29124900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 1.7% (1 of 60) of reports.

Warning

H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Benzaldehyde, 3-hydroxy-

Status: Active Update: 10-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17191

Benzaldehyde, 3-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See p-Hydroxybenzaldehyde and Benzaldehyde.

Hazard Classes and CategoriesSkin Irrit. 2 (90%)

Safety data

F: 8-9-23
wgk: 3
tsca: TSCA listed
rtecs: CU6450000
hs_code: 29124900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313

Chemistry & industry

Uses & manufacturing

Use ClassificationInsecticides

General Manufacturing InformationBenzaldehyde, 3-hydroxy-: ACTIVE

Applications

UsesIntermediate for dyes, plastics, pharmaceuticals, and bactericides; color reagent for Schiff’s reagent, sensitizing agent in photographic emulsions.

Uses3-Hydroxybenzaldehyde is used as an ionophore, during the development of an highly selective and sensitive PVC membrane sensor, which can be used as a Tb3+ ion selective electrode.

Upstream & downstream products

Upstream raw materials

Downstream products

1-HYDROXY-1-(3-HYDROXYPHENYL)-2-PROPANONE 3-(4-TERT-BUTYLPHENOXY)BENZALDEHYDE 3-(3-HYDROXYPHENYL)PROPIONIC ACID (S)-(-)-7,7'-BIS[DI(3,5-DIMETHYLPHENYL)PHOSPHINO]-2,2',3,3'-TETRAHYDRO-1,1'-SPIROBIINDANE 1,1'-SPIROBIINDANE-7,7'-DIOL (11AR)-(+)-10,11,12,13-TETRAHYDRODIINDENO[7,1-DE:1',7'-FG][1,3,2]DIOXAPHOSPHOCIN-5-BIS(R)-1PHENYLETHYL]AMINE 3-Benzyloxybenzaldehyde Benzofuran-2-carboxylic acid 2,3-Dimethoxybenzaldehyde METARAMINOL (11AR)-(+)-10,11,12,13-TETRAHYDRODIINDENO[7,1-DE:1',7'-FG][1,3,2]DIOXAPHOSPHOCIN-5-PHENOXY (11AR)-(+)-10,11,12,13-TETRAHYDRODIINDENO[7,1-DE:1',7'-FG][1,3,2]DIOXAPHOSPHOCIN-5-DIMETHYLAMINE

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Additional notes

DefinitionChEBI: A hydroxybenzaldehyde carrying a hydroxy substituent at position 3.

Related reactions

732 records

New reaction record

HRID 4648As reactantuspto-grants-1988_02

HRID 6494As reactantuspto-grants-1993_09

HRID 6497As reactantuspto-grants-1993_09

HRID 17641As reactantuspto-grants-2010_06

HRID 20344As reactantuspto-grants-2010_06

HRID 22794As reactantuspto-grants-2005_02

HRID 22798As reactantuspto-grants-2005_02

HRID 23655As reactantuspto-grants-2005_02

Linked notes

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Basic information