CAS 2150-47-2 Methyl 2,4-Dihydroxybenzoate (HCID 16523)

Overview

methyl 2,4-dihydroxybenzoate has been reported in Pueraria montana var. lobata and Maclura tricuspidata with data available.

Names & identifiers

Preferred name: Methyl 2,4-Dihydroxybenzoate
IUPAC: methyl 2,4-dihydroxybenzoate
English name: Methyl 2,4-dihydroxybenzoate
Molecular formula: C8H8O4
Molecular weight: 168.15

Names & synonyms

METHYL 2,4-DIHYDROXYBENZOATE2150-47-2Methyl beta-resorcylate2,4-Dihydroxybenzoic acid methyl esterBenzoic acid, 2,4-dihydroxy-, methyl esterMethyl-2,4-dihydroxybenzoate.beta.-Resorcylic acid, methyl esterMethyl .beta.-resorcylateXE68BU3OYJORISTAR MDHB24EINECS 218-428-3AI3-31503

Show more names

2,4-DihydroxybenzoateAKOS BBS-000029134-dihydroxybenzoateRARECHEM AL BF 0221METHYL B-RESORCYLATEMethyl-2,4-dihydroxymethyl á-resorcylateMethyl β-Resorcylate

DTXSID2022177RefChem:812940DTXCID302177beta-Resorcylic acid, methyl esterMETHYL 2,4-DIHYDROXYBENZOATE [INCI]218-428-3MFCD00002276CHEMBL486026

Database identifiers

CAS: 2150-47-2
PubChem CID: 16523
DTXSID: DTXSID2022177
ChEMBL: CHEMBL486026
UNII: XE68BU3OYJ
EC Number: 218-428-3
Nikkaji: J127.960B

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 168

Physicochemical properties

Melting point: 118 · 118-121 °C (lit.)
Boiling point: 257.07 °C · 257.07°C (rough estimate)
Density: 1.3037 · 1.3037 (rough estimate)
refractive index: 1.509 · 1.5090 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: Soluble in methanol.
pka: 8.14 · 8.14±0.18(Predicted)
form: Powder
color: White to beige
Cosmetics Ingredients Functions: SKIN CONDITIONING
InChI: InChI=1S/C8H8O4/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,9-10H,1H3
InChIKey: IIFCLXHRIYTHPV-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(O)C=C1O
LogP: 1.92 · 1.920 (est)
CAS DataBase Reference: 2150 · 2150-47-2(CAS DataBase Reference)
FDA UNII: 68 BU3OYJ · XE68BU3OYJ
NIST Chemistry Reference: 2 · Methyl 2,4-dihydroxybenzoate(2150-47-2)
EPA Substance Registry System: -2 · Methyl-2,4-dihydroxybenzoate (2150-47-2)
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-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29182900 · 29182900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Benzoic acid, 2,4-dihydroxy-, methyl ester

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29182900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 2,4-dihydroxy-, methyl ester: ACTIVE

Applications

UsesMethyl 2,4-dihydroxybenzoate is used as a cosmetic agents. And it is used in synthesis of raw material for fine chemicals, organic intermediate, pharmaceutical intermediate.

Upstream & downstream products

Upstream raw materials

Benzoic acid, 2,4-bis(acetyloxy)-, methyl ester 3,9-Dioxa-2,10-disilaundeca-4,6-diene, 4-methoxy-2,2,10,10-tetramethyl-8-methylene-6-[(trimethylsilyl)oxy]-Benzoic acid, 2,4-dihydroxy-, (6R,13R)-7,13-dihydro-3-hydroxy-10-(6-hydroxy-2-benzofuranyl)-6-methyl-7-oxo-6,13-methano-6H-benzofuro[3,2-d][1]benzoxocin-8-yl ester, rel-(+)-6,13-Methano-6H-benzofuro[3,2-d][1]benzoxocin-7(13H)-one, 3,8-dihydro-10-(6-hydroxy-2-benzofuranyl)-6-methyl-, (6α,13α)- (9CI)Benzoic acid, 2-hydroxy-4-(2-propenyloxy)-, methyl ester Methyl 2-hydroxy-4-methoxymethoxybenzoate Benzoic acid, 2-hydroxy-4-[(4-methoxyphenyl)methoxy]-, methyl ester Methyl 4-chloro-2-hydroxybenzoate Methanol 2,4-Dihydroxybenzaldehyde Trimethoxymethane Iodomethane

Downstream products

2,4-Dihydroxy-N-(2-hydroxyethyl)benzamide METHYL 2,4-DIMETHOXYBENZOATE 2,4-Dihydroxybenzamide

Suppliers100 total

常州帝通化工有限公司+86-0519-88298848 · [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]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

Related reactions

120 records

New reaction record

HRID 1670As reactantuspto-grants-1998_03

HRID 4544As reactantuspto-grants-1988_02

HRID 29643As reactantuspto-grants-2008_09

HRID 41378As reactantuspto-grants-2013_09

HRID 109344As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 111172As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 122422As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 128580As reactantuspto-grants-1995_11

Compound notes

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Basic information