2-(Propan-2-yloxy)acetic acid

HCID 517213CAS 33445-07-7

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Grundinformationen

Standard-SMILES: CC(C)OCC(=O)O
InChIKey: OAIRTVZAAFZBMR-UHFFFAOYSA-N
Summenformel: C5H10O3
Durchschnittliche Molmasse: 118,13 g/mol
Monoisotopische Masse: 118,06299418

Namen und Bezeichner

Bevorzugter Name: 2-(Propan-2-yloxy)acetic acid
IUPAC: 2-propan-2-yloxyacetic acid
Englischer Name: isopropoxyacetic acid
Summenformel: C5H10O3
Molmasse: 118.13

Namen und Synonyme

2-(propan-2-yloxy)acetic acidRefChem:462032810-738-2Isopropoxyacetic acid33445-07-72-Isopropoxyacetic acidisopropoxy-acetic acid2-propan-2-yloxyacetic acidMFCD09055367Acetic acid, (1-methylethoxy)-2-(1-METHYLETHOXY)-ACETIC ACIDi-propoxyacetic acid

Weitere Namen anzeigen

2-isopropoxyaceticacidUKRORGSYN-BB BBV-0831562-propan-2-yloxyethanoic acidAcetic acid, 2-(1-methylethoxy)-isopropoxyacetic acid(SALTDATA: FREE)

(1-methylethoxy)acetic acid(propan-2-yloxy)acetic acidSCHEMBL56720SCHEMBL6923372-(1-Methylethoxy)acetic acidSCHEMBL3953257SCHEMBL8042086[(Propan-2-yl)oxy]acetic acid

Datenbank-Bezeichner

CAS: 33445-07-7
PubChem CID: 517213
DTXSID: DTXSID50333693
EC Number: 810-738-2
Nikkaji: J1.162.016G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 77

Physikochemische Eigenschaften

Siedepunkt: 113 °C · 113 °C
Dichte: 1.05 · 1.050±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: liquid
pka: 3.49 · 3.49±0.10(Predicted)
Farbe: Colorless

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.