Basic information
- Standard SMILES
O=C(O)c1ccc(O)cc1O- InChIKey
UIAFKZKHHVMJGS-UHFFFAOYSA-N- Molecular formula
- C7H6O4
- Average molar mass
- 154.12 g/mol
- Monoisotopic mass
- 154.02660867
Names & identifiers
- Preferred name
- 2,4-Dihydroxybenzoic Acid
- IUPAC
- 2,4-dihydroxybenzoic acid
- English name
- 2,4-Dihydroxybenzoic acid
- Molecular formula
- C7H6O4
- Molecular weight
- 154.12
Names & synonyms
2,4-dihydroxybenzoic acid89-86-1beta-Resorcylic acid4-Hydroxysalicylic acid4-Carboxyresorcinolp-Hydroxysalicylic acidBenzoic acid, 2,4-dihydroxy-beta-Resorcinolic acidRESORCYLIC ACID, BETACoupler 320DTXSID0025074LU39SC9JYL
Show more names
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
Database identifiers
- CAS
89-86-1- PubChem CID
- 1491
- DTXSID
DTXSID0025074- ChEMBL
CHEMBL328910- ChEBI
CHEBI:42094- UNII
- LU39SC9JYL
- EC Number
- 201-946-9
- Nikkaji
- J4.310I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
LogP
1.63
1.63
Solubility
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
226
218 - 219 °C
Vapor Pressure0.0000021 [mmHg]
Physical Description
Solid; [Merck Index] White powder; [Alfa Aesar MSDS]
Solid
hydrated white crystals with a faint phenolic odour
Dissociation Constants3.11 (at 25 °C)
Kovats Retention Index1532
Physicochemical properties
- Melting point
- 208 · 208-211 °C (dec.) (lit.)
- Boiling point
- 237.46 °C · 237.46°C (rough estimate)
- Density
- 1.3725 · 1.3725 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.671 · 1.6710 (estimate)
- FEMA
- 3798 · 3798 | 2,4-DIHYDROXYBENZOIC ACID
- FLAVIS Number
- 8.076 · 08.076 | 2,4-Dihydroxybenzoic acid
- Flash point
- 200 °C · 200 °C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 8 g/l · 8g/l
- form
- Crystalline Powder
- pka
- 3.11 · 3.11, 8.55, 14.0(at 25℃)
- color
- Cream to slightly beige or pink
- Odor
- 100 % · at 100.00%. mild phenolic
- biological source
- synthetic
- Water Solubility
- 8 g/L · 8 g/L (20 ºC)
- Merck
- 14 · 14,8157
- JECFA Number
- 908 · 908
- BRN
- 1946213 · 1946213
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENTSKIN CONDITIONING - MISCELLANEOUS
- InChI
- 1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
- InChIKey
- UIAFKZKHHVMJGS-UHFFFAOYSA-N
- SMILES
- OC(=O)c1ccc(O)cc1O
- LogP
- 0.98 at · 0.98 at 23℃ and pH3.5
- Substances Added to Food (formerly EAFUS)
- 2 · 2,4-DIHYDROXYBENZOIC ACID
- CAS DataBase Reference
- 89 · 89-86-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 39 SC9JYL · LU39SC9JYL
- NIST Chemistry Reference
- 2 · 2,4-Dihydroxybenzoic acid(89-86-1)
- EPA Substance Registry System
- 2 · 2,4-Resorcylic acid (89-86-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 1 · 1
- RTECS
- 3708050 · VH3708050
- TSCA
- TSCA listed
- HS Code
- 29182990 · 29182990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Skin Sens. 1
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
Regulatory Information
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%)
Safety & protection
Protective Action Criteria (PAC)
10 [mg/m3]
110 [mg/m3]
660 [mg/m3]
Regulatory information
Regulatory Information
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
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- VH3708050
- hs_code
- 29182990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Skin Sens. 1
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm；Extracellular
Uses & manufacturing
Uses
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
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
Applications
Uses2,4-Dihydroxybenzoic acid is a useful synthetic intermediate. An organic building block for plastics and rubber products.
OccurrenceReported present in avocados, beer, red wine, roast coffee, sherry, smoked sausage and white wine
Uses2,4-Dihydroxybenzoic acid is used in Intermediates, Plasticizers, Plastic and Rubber Products, a organic building block.
UsesIntermediate for dyestuffs and drugs; spot test reagent for iron.
Preparation methods
PreparationIt is derived from the hydroxylation of resorcinol.
PreparationPrepared from resorcinol and potassium bicarbonate in glycerol or water by heating and passing carbon dioxide through the mixture.
Upstream & downstream products
Upstream raw materials
Downstream products
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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
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Syntechem Co.,Ltd[email protected]
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嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
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艾科试剂4008-755-333 18080918076 · [email protected]
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北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
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Related reactions
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