CAS 150864-94-1 1-Ethylcyclobutane-1-carboxylic acid (HCID 21996033)

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Basic information

CAS: 150864-94-1
Standard SMILES: CCC1(C(=O)O)CCC1
InChIKey: XLUXAKJPHJEFKL-UHFFFAOYSA-N
Molecular formula: C7H12O2
Average molar mass: 128.17 g/mol
Monoisotopic mass: 128.08372962

Names & identifiers

Preferred name: 1-Ethylcyclobutane-1-carboxylic acid
IUPAC: 1-ethylcyclobutane-1-carboxylic acid
English name: 1-ethyl-Cyclobutanecarboxylic acid
Molecular formula: C7H12O2
Molecular weight: 128.17

Names & synonyms

1-ethylcyclobutane-1-carboxylic acid150864-94-1DTXSID40621334RefChem:230387DTXCID30572088830-293-81-Ethylcyclobutanecarboxylic acidCyclobutanecarboxylic acid, 1-ethyl-MFCD18253511CCG-358805KS-8923SY102575

Show more names

1-ethylcyclobutane-1-carboxylic acid - [E83110]

CS-0037445EN300-102357F8881-3740Z12054942811-ethyl-Cyclobutanecarboxylic acidEthylcyclobutane carboxyFT-0708941Ethylcyclobutane carboxylate

Database identifiers

CAS: 150864-94-1
PubChem CID: 21996033
DTXSID: DTXSID40621334
EC Number: 830-293-8

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 125

Physicochemical properties

Boiling point: 219.6 · 219.6±8.0 °C(Predicted)
Density: 1.074 · 1.074±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 4.99 · 4.99±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H315-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H318-H315-H335
Precautionary statements: P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362