3-Cyclopropylpropanoic acid

HCID 2758013

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Grundinformationen

CAS: 5618-03-1
Standard-SMILES: O=C(O)CCC1CC1
InChIKey: PPZZCMKWRAVJDS-UHFFFAOYSA-N
Summenformel: C6H10O2
Durchschnittliche Molmasse: 114,14 g/mol
Monoisotopische Masse: 114,06807956

Namen und Bezeichner

Bevorzugter Name: 3-Cyclopropylpropanoic acid
IUPAC: 3-cyclopropylpropanoic acid
Englischer Name: 3-Cyclopropylpropionic acid
Summenformel: C6H10O2
Molmasse: 114.14

Namen und Synonyme

3-cyclopropylpropanoic Acid5618-03-1DTXSID30374125RefChem:278874DTXCID70325156672-363-93-Cyclopropylpropionic acidCyclopropanepropanoic acidMFCD021794083-cyclopropyl-propionic acid3-cyclopropylpropanoicAcidcyclopropylmethylacetic acid

Weitere Namen anzeigen

3-Cyclopropylpropanoic acid 97%

3-cyclopropulpropanoic acid3-cyclopropylpropoininc acidSCHEMBL301024SCHEMBL1477843SCHEMBL8555451SCHEMBL10333186SCHEMBL279902053-CYCLOPROPYLPROPIONICACID

Datenbank-Bezeichner

CAS: 5618-03-1
PubChem CID: 2758013
DTXSID: DTXSID30374125
EC Number: 672-363-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 94

Physikochemische Eigenschaften

Siedepunkt: 208 ℃ · 208℃
Dichte: 1.119 · 1.119
Flammpunkt: 102 ℃ · 102℃
storage temp.: Sealed in dry,Room Temperature
pka: 4.78 · 4.78±0.10(Predicted)
Aggregatzustand: liquid
Farbe: Colourless

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): 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, P305+P354+P338, P317, 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 3 reports by companies from 3 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.