2,6-Dihydroxybenzoic Acid

HCID 9338
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Basic information

CAS
303-07-1
Standard SMILES
O=C(O)c1c(O)cccc1O
InChIKey
AKEUNCKRJATALU-UHFFFAOYSA-N
Molecular formula
C7H6O4
Average molar mass
154.12 g/mol
Monoisotopic mass
154.02660867

Overview

2,6-dihydroxybenzoic acid is a dihydroxybenzoic acid having the two hydroxy groups at the C-2 and C-6 positions. It has a role as a metabolite. It is a dihydroxybenzoic acid and a monocarboxylic acid. It is a conjugate acid of a 2,6-dihydroxybenzoate.

Names & identifiers

Preferred name
2,6-Dihydroxybenzoic Acid
IUPAC
2,6-dihydroxybenzoic acid
English name
2,6-Dihydroxybenzoic acid
Molecular formula
C7H6O4
Molecular weight
154.12

Names & synonyms

2,6-DIHYDROXYBENZOIC ACID303-07-1gamma-Resorcylic acidBenzoic acid, 2,6-dihydroxy-2-Carboxyresorcinol6-Hydroxysalicylic acid2,6-Resorcylic acidRSA5G6VRPVNSC-49172DTXSID1059785CHEBI:68465RefChem:445582
Show more names
2,6-dihydroxybenzoatensc491722,6-DihydroxylG-RESORCYLIC ACIDgama-Resorcylic acid2,6-Dihydroxybenzoic6-hydroxysalicylicacid
DTXCID6038164206-134-82,6-dihydroxy benzoic acid.gamma.-Resorcylic acidMFCD000024622,6-DihydroxybenzoesaeureNSC 491722,6-dihydroxy-benzoic acid

Database identifiers

CAS
303-07-1
PubChem CID
9338
DTXSID
DTXSID1059785
ChEMBL
CHEMBL454808
ChEBI
CHEBI:68465
UNII
RSA5G6VRPV
EC Number
206-134-8
Nikkaji
J5.486K

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
77.8 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Benzoic Acid Derivatives
LogP2.20
Solubility9.56 mg/mL
Melting Point165 °C
Physical Description · 2 items

Off-white chunks; [Alfa Aesar MSDS]

Solid

Physicochemical properties

Melting point
165 °C · 165 °C (dec.) (lit.)
Boiling point
237.46 °C · 237.46°C (rough estimate)
Density
1.3725 · 1.3725 (rough estimate)
refractive index
1.64 · 1.6400 (estimate)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
25 g/l · 25g/l

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzoic acid, 2,6-dihydroxy-

Benzoic acid, 2,6-dihydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
DG8578000
hs_code
29182990
risk_code
36/37/38

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

UsesSynthetic Polymer MALDI Matrix Compounds
General Manufacturing InformationBenzoic acid, 2,6-dihydroxy-: ACTIVE

Applications

Uses6-Hydroxysalicylic Acid, is used in biological studies to evaluate the microbial metabolism of various sources of polyphenols in colon area.

Upstream & downstream products

Suppliers100 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]
合肥瑞洛新材料科技有限公司19567218739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

Additional notes

DefinitionChEBI: A dihydroxybenzoic acid having the two hydroxy groups at the C-2 and C-6 positions.

Related reactions

17 records
New reaction record

Compound notes

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