2,4-Dihydroxybenzoesure

2,4-Dihydroxybenzoic Acid

HCID 1491CAS 89-86-1
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Grundinformationen

Standard-SMILES
O=C(O)c1ccc(O)cc1O
InChIKey
UIAFKZKHHVMJGS-UHFFFAOYSA-N
Summenformel
C7H6O4
Durchschnittliche Molmasse
154,12 g/mol
Monoisotopische Masse
154,02660867

Namen und Bezeichner

Bevorzugter Name
2,4-Dihydroxybenzoic Acid
IUPAC
2,4-dihydroxybenzoic acid
Lokaler Name
2,4-Dihydroxybenzoesure
Englischer Name
2,4-Dihydroxybenzoic acid
Summenformel
C7H6O4
Molmasse
154.12

Namen und Synonyme

2,4-dihydroxybenzoic acid89-86-1beta-Resorcylic acid4-Hydroxysalicylic acid4-Carboxyresorcinolp-Hydroxysalicylic acidBenzoic acid, 2,4-dihydroxy-beta-Resorcinolic acidRESORCYLIC ACID, BETACoupler 320DTXSID0025074LU39SC9JYL
Weitere Namen anzeigen
2,4-Dhba2,4-Dihydrox2,4-Dihydroxybenzoesure4-Dihydroxybenzoic acidSodium aminosalicylate Impurity 32,4-Dihydroxybenzoic Acid, ≥ 98.0%2,4-DIHYDROXYBENZOIC ACID / BETA-RESORCYLIC ACIDBRA
NSC-4740NSC-13564DTXCID205074FEMA NO. 3798RefChem:567952201-946-9.beta.-Resorcylic acidMFCD00002451

Datenbank-Bezeichner

CAS
89-86-1
PubChem CID
1491
DTXSID
DTXSID0025074
ChEMBL
CHEMBL328910
ChEBI
CHEBI:42094
UNII
LU39SC9JYL
EC Number
201-946-9
Nikkaji
J4.310I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
77,8 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
1
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

LogP · 2 Einträge

1.63

1.63

Solubility · 4 Einträge

5780

5.78 mg/mL at 25 °C

soluble in hot water, organic solvents, oils

soluble (in ethanol)

Boiling Point309.00 to 310.00 °C. @ 760.00 mm Hg
Melting Point · 2 Einträge

226

218 - 219 °C

Vapor Pressure0.0000021 [mmHg]
Physical Description · 3 Einträge

Solid; [Merck Index] White powder; [Alfa Aesar MSDS]

Solid

hydrated white crystals with a faint phenolic odour

Physikochemische Eigenschaften

Schmelzpunkt
208 · 208-211 °C (dec.) (lit.)
Siedepunkt
237.46 °C · 237.46°C (rough estimate)
Dichte
1.3725 · 1.3725 (rough estimate)
Dampfdruck
0 Pa · 0Pa at 25℃
Brechungsindex
1.671 · 1.6710 (estimate)
FEMA
3798 · 3798 | 2,4-DIHYDROXYBENZOIC ACID

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (89.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (90.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 55 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Benzoic acid, 2,4-dihydroxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 03-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26724；Status: Active Update: 16-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20707

Benzoic acid, 2,4-dihydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) > 800 mg/kg; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (89.1%)；Eye Irrit. 2A (90.9%)；STOT SE 3 (87.3%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

10 [mg/m3]

110 [mg/m3]

660 [mg/m3]

Regulatorische Informationen

Regulatory Information · 4 Einträge

Chemical: Benzoic acid, 2,4-dihydroxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 03-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26724；Status: Active Update: 16-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20707

Benzoic acid, 2,4-dihydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
1
tsca
TSCA listed
hs_code
29182990
RTECS-Nr.
VH3708050
risk_code
36/37/38
hazard_code
Xi

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm；Extracellular

Verwendung und Herstellung

Uses · 2 Einträge

Used as a test reagent for iron and an intermediate (dyestuffs and drugs); [Merck Index] Used as flavoring agent or adjuvant; [FDA]

Synthetic Polymer MALDI Matrix Compounds

Use Classification · 3 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzoic acid, 2,4-dihydroxy-: ACTIVE
Anwendungen · 3 Einträge

BeschreibungDie 2,4-Dihydroxybenzoesäure bildet farblose, mäßig wasserlösliche Kristalle. Die Verbindung besitzt nur wissenschaftliches Interesse.

OccurrenceReported present in avocados, beer, red wine, roast coffee, sherry, smoked sausage and white wine

Verwenden2,4-Dihydroxybenzoic acid is used in Intermediates, Plasticizers, Plastic and Rubber Products, a organic building block.

Darstellung

synthetischePrepared from resorcinol and potassium bicarbonate in glycerol or water by heating and passing carbon dioxide through the mixture.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

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