CAS 57598-33-1 4,4-Dimethyl-2-(2-methoxyphenyl)oxazoline (HCID 333189)

Names & identifiers

Preferred name: 4,4-Dimethyl-2-(2-methoxyphenyl)oxazoline
IUPAC: 2-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
English name: 2-(2-Methoxyphenyl)-4,4-dimethyl-2-oxazoline
Molecular formula: C12H15NO2
Molecular weight: 205.25

Names & synonyms

57598-33-12-(2-Methoxyphenyl)-4,4-dimethyl-2-oxazoline2-(2-Methoxyphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazoleU3076TTS1PNSC 3334202-(2'-methoxyphenyl)-4,4-dimethyl-2-oxazoline4,5-DIHYDRO-2-(2-METHOXYPHENYL)-4,4-DIMETHYLOXAZOLE4,4-Dimethyl-2-(2-methoxyphenyl)oxazolineOxazole, 4,5-dihydro-2-(2-methoxyphenyl)-4,4-dimethyl-NSC-3334202-(2-methoxyphenyl)-4,4-dimethyloxazolineDTXSID80206225

Show more names

LABOTEST-BB LT004546482-(2-METHOXYPHENYL)-4,4-DIMETHYL-OXAZOLINE2-(2-methoxyphenyl)-4,4-dimethyl-5H-oxazole2-(2-METHOXYPHENYL)-4,4-DIMETHYL-2-OXAZOLINE 95%

RefChem:507390DTXCID80128716624-216-52-(2-Methoxyphenyl)-4,4-dimethyl-4,5-dihydrooxazole2-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazoleMFCD001518374,4-Dimethyl-2-(2'-methoxyphenyl)oxazolineNSC333420

Database identifiers

CAS: 57598-33-1
PubChem CID: 333189
DTXSID: DTXSID80206225
UNII: U3076TTS1P
EC Number: 624-216-5
Nikkaji: J1.285.638E

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 30.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 260

Physicochemical properties

Melting point: 68 · 68-70°C
Boiling point: 311.5 · 311.5±25.0 °C(Predicted)
Density: 1.08 · 1.08±0.1 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 4.88 · 4.88±0.70(Predicted)
Appearance: Light yellow to yellow Solid
InChI: 1S/C12H15NO2/c1-12(2)8-15-11(13-12)9-6-4-5-7-10(9)14-3/h4-7H,8H2,1-3H3
InChIKey: ZGDUNGBWVZKWGE-UHFFFAOYSA-N
SMILES: COc1ccccc1C2=NC(C)(C)CO2
CAS DataBase Reference: 57598 · 57598-33-1(CAS DataBase Reference)
FDA UNII: 3076 TTS1P · U3076TTS1P
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: 22 · 22-24/25-36-26
WGK Germany: 3 · 3
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.