Benzyl 3-hydroxy-2,2-dimethylpropanoate

HCID 18922595

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Grundinformationen

CAS: 17701-61-0
Standard-SMILES: CC(C)(CO)C(=O)OCc1ccccc1
InChIKey: PLZZXRKTRWITII-UHFFFAOYSA-N
Summenformel: C12H16O3
Durchschnittliche Molmasse: 208,25 g/mol
Monoisotopische Masse: 208,10994437

Namen und Bezeichner

Bevorzugter Name: Benzyl 3-hydroxy-2,2-dimethylpropanoate
IUPAC: benzyl 3-hydroxy-2,2-dimethylpropanoate
Englischer Name: Benzyl 3-hydroxy-2,2-dimethylpropanoate
Summenformel: C12H16O3
Molmasse: 208.25

Namen und Synonyme

BENZYL 3-HYDROXY-2,2-DIMETHYLPROPANOATE17701-61-0DTXSID90596508RefChem:328469DTXCID70547270888-227-9benzyl 3-hydroxy-2,2-dimethylpropionateMFCD09951815Propanoic acid, 2-(hydroxymethyl)-2-methyl-, phenylmethyl esterbenzyl 3-hydroxy-2,2-dimethyl-propanoateBenzyl HydroxypivalateSCHEMBL621696

Weitere Namen anzeigen

Benzyl 2,2-dimethyl-3-hydroxypropanoatebenzyl 2,2-dimethyl-3-hydroxypropanoic acid2,2-dimethyl-3-hydroxypropanoic acidbenzyl esterPropanoic acid, 3-hydroxy-2,2-dimethyl-, phenylmethyl ester

3-Hydroxy-2,2-dimethyl-propionic acid benzyl esterPLZZXRKTRWITII-UHFFFAOYSA-NSAA70161AKOS026673551DS-9883s10582DA-35091SY040453

Datenbank-Bezeichner

CAS: 17701-61-0
PubChem CID: 18922595
DTXSID: DTXSID90596508
EC Number: 888-227-9
Nikkaji: J3.493.000G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 15
Formalladung: 0
Komplexität: 205

Physikochemische Eigenschaften

Siedepunkt: 117 · 117-118 °C(Press: 0.1 Torr)
Dichte: 1.1 · 1.100±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.16 · 14.16±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): 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 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.