3-Cyclopropylpropanoic acid

HCID 2758013

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Basic information

CAS: 5618-03-1
Standard SMILES: O=C(O)CCC1CC1
InChIKey: PPZZCMKWRAVJDS-UHFFFAOYSA-N
Molecular formula: C6H10O2
Average molar mass: 114.14 g/mol
Monoisotopic mass: 114.06807956

Names & identifiers

Preferred name: 3-Cyclopropylpropanoic acid
IUPAC: 3-cyclopropylpropanoic acid
English name: 3-Cyclopropylpropionic acid
Molecular formula: C6H10O2
Molecular weight: 114.14

Names & synonyms

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

Show more names

3-Cyclopropylpropanoic acid 97%

3-cyclopropulpropanoic acid3-cyclopropylpropoininc acidSCHEMBL301024SCHEMBL1477843SCHEMBL8555451SCHEMBL10333186SCHEMBL279902053-CYCLOPROPYLPROPIONICACID

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 94

Physicochemical properties

Boiling point: 208 ℃ · 208℃
Density: 1.119 · 1.119
Flash point: 102 ℃ · 102℃
storage temp.: Sealed in dry,Room Temperature
pka: 4.78 · 4.78±0.10(Predicted)
form: liquid
color: Colourless
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 260 · P260-P280-P271
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-41-22
Safety Statements: 26 · 26-36/37/39
HS Code: 2902900000 · 2902900000

Safety & regulation

GHS classification

GHS Classification · 5 items

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.