CAS 19438-10-9 Methyl 3-Hydroxybenzoate (HCID 88068)

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Basic information

CAS: 19438-10-9
Standard SMILES: COC(=O)c1cccc(O)c1
InChIKey: YKUCHDXIBAQWSF-UHFFFAOYSA-N
Molecular formula: C8H8O3
Average molar mass: 152.15 g/mol
Monoisotopic mass: 152.04734411

Names & identifiers

Preferred name: Methyl 3-Hydroxybenzoate
IUPAC: methyl 3-hydroxybenzoate
English name: Methyl 3-hydroxybenzoate
Molecular formula: C8H8O3
Molecular weight: 152.15

Names & synonyms

Methyl 3-hydroxybenzoate19438-10-9Methyl m-hydroxybenzoate3-Hydroxybenzoic acid methyl esterm-Carbomethoxyphenolm-Hydroxybenzoic acid methyl esterBenzoic acid, 3-hydroxy-, methyl esterMethyl m-oxybenzoate3-(Methoxycarbonyl)phenol3-carbomethoxyphenolBenzoic acid, m-hydroxy-, methyl esterNSC 40536

Show more names

AKOS BBB/380AKOS BBS-00004297RARECHEM AL BF 0067Methyl 3-hydroxybenzo

569M9G3STJEINECS 243-071-5NSC-40536AI3-31869DTXSID50173071BENZOIC ACID,3-HYDROXY,METHYL ESTERRefChem:815509DTXCID8095562

Database identifiers

CAS: 19438-10-9
PubChem CID: 88068
DTXSID: DTXSID50173071
ChEMBL: CHEMBL2272613
ChEBI: CHEBI:165218
UNII: 569M9G3STJ
EC Number: 243-071-5
Nikkaji: J47.816D

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 144

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1415；1389；1384；1365；1429

2012

Physicochemical properties

Melting point: 70 · 70-72 °C (lit.)
Boiling point: 280 · 280-281 °C/709 mmHg (lit.)
Density: 1.1528 · 1.1528
refractive index: 1.4447 · 1.4447 (estimate)
Flash point: 280 · 280-281°C/708mm
storage temp.: Inert atmosphere,Room Temperature
solubility: Soluble in chloroform, dimetyl Sulfoxide,ethanol and methanol.
pka: 9.15 · 9.15±0.10(Predicted)
form: Crystals
color: Beige
BRN: 2208129 · 2208129
InChI: InChI=1S/C8H8O3/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5,9H,1H3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 8 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 InformationChemical: Benzoic acid, 3-hydroxy-, methyl ester

Hazard Classes and CategoriesAcute Tox. 4 (90%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98.3%)

Regulatory information

Regulatory InformationChemical: Benzoic acid, 3-hydroxy-, methyl ester

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29163100

Chemistry & industry

Applications · 3 items

UsesMethyl 3-Hydroxybenzoate can be used to increase the stability of agents to treat keratin material.

UsesMethyl 3-hydroxybenzoate is used in the preparation of 3-hydroxybenzene-1,2-dicarbaldehyde and O-methyl O-[3-methyl-4-(methylthio)phenyl]O-(3-methylcarboxyphenyl) phosphorothioate.

UsesMethyl 3-hydroxybenzoate has been used in synthesis of:3-hydroxybenzene-1,2-dicarbaldehydeO-methyl O-[3-methyl-4-(methylthio)phenyl]O-(3-methylcarboxyphenyl) phosphorothioate