CAS 20117-47-9 1-Methylcyclobutanol (HCID 140642)

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Basic information

CAS: 20117-47-9
Standard SMILES: CC1(O)CCC1
InChIKey: DQWVUKFABWSFJD-UHFFFAOYSA-N
Molecular formula: C5H10O
Average molar mass: 86.13 g/mol
Monoisotopic mass: 86.07316494

Names & identifiers

Preferred name: 1-Methylcyclobutanol
IUPAC: 1-methylcyclobutan-1-ol
English name: 1-Methylcyclobutanol
Molecular formula: C5H10O
Molecular weight: 86.13

Names & synonyms

1-Methylcyclobutanol20117-47-9cyclobutanol, 1-methyl-DTXSID90173934RefChem:76372DTXCID6096425InChI=1/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H1-methylcyclobutan-1-ol1-methyl-cyclobutanolMFCD012188901-methyl-1-cyclobutanolAKOS017507568

Show more names

1-methylcyclobutan-1-ol - [M84515]

SB83820PS-17927SY196215CS-0168123EN300-833891-Methylcyclobutan-1-oFT-0747589SCHEMBL128025

Database identifiers

CAS: 20117-47-9
PubChem CID: 140642
DTXSID: DTXSID90173934
EC Number: 819-559-4
Nikkaji: J843.685A

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 55

Physicochemical properties

Boiling point: 117 · 117-120 °C
Density: 0.902 g/cm3 · 0.902 g/cm3
storage temp.: 2 · 2-8°C
pka: 15.38 · 15.38±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3
InChIKey: DQWVUKFABWSFJD-UHFFFAOYSA-N
SMILES: C1(C)(O)CCC1
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H302-H315-H319-H335
Precautionary statements: 210 · P210-P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.