(5-Methyl-3-phenyl-1,2-oxazol-4-yl)methanol

HCID 2776149CAS 18718-79-1

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Basic information

Standard SMILES: Cc1onc(-c2ccccc2)c1CO
InChIKey: GHGWDZCXZRWQBG-UHFFFAOYSA-N
Molecular formula: C11H11NO2
Average molar mass: 189.21 g/mol
Monoisotopic mass: 189.07897859

Names & identifiers

Preferred name: (5-Methyl-3-phenyl-1,2-oxazol-4-yl)methanol
IUPAC: (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol
English name: (5-Methyl-3-phenyl-4-isoxazolyl)methanol
Molecular formula: C11H11NO2
Molecular weight: 189.21

Names & synonyms

18718-79-1(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanolDTXSID00379844RefChem:209509DTXCID60330870(5-methyl-3-phenyl-4-isoxazolyl)methanol(5-METHYL-3-PHENYLISOXAZOL-4-YL)METHANOLMFCD026777244-(Hydroxymethyl)-5-methyl-3-phenylisoxazole4-Isoxazolemethanol, 5-methyl-3-phenyl-SCHEMBL107436orb3031287

Show more names

BUTTPARK 154\16-51RARECHEM AL BD 05145-Methyl-3-phenylisoxazole-4-methanol3-phenyl-4- hydroxylmethyl-5-methyl-isoxazoleJR-8155, (5-Methyl-3-phenylisoxazol-4-yl)methanol, 97%

GHGWDZCXZRWQBG-UHFFFAOYSA-NFr12629SBB090948AKOS005255134AT18464PS-4241SDCCGMLS-0065904.P001SY229245

Database identifiers

CAS: 18718-79-1
PubChem CID: 2776149
DTXSID: DTXSID00379844

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 180

Physicochemical properties

Melting point: 81 °C · 81 °C
Boiling point: 382.4 · 382.4±30.0 °C(Predicted)
Density: 1.176 · 1.176±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 13.49 · 13.49±0.10(Predicted)
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
HS Code: 2934999090 · 2934999090

Safety & regulation

Safety data

hs_code: 2934999090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501