Completing data — usually done within a minute
Basic information
- CAS
872286-84-5- Standard SMILES
CC1CC(C=O)C1- InChIKey
WSIKZXHZNUEYPX-UHFFFAOYSA-N- Molecular formula
- C6H10O
- Average molar mass
- 98.14 g/mol
- Monoisotopic mass
- 98.07316494
Names & identifiers
- Preferred name
- 3-Methylcyclobutane-1-carbaldehyde
- IUPAC
- 3-methylcyclobutane-1-carbaldehyde
Names & synonyms
3-methylcyclobutane-1-carbaldehyde872286-84-5RefChem:504184827-819-33-methyl-cyclobutanecarbaldehydeMFCD24680087SCHEMBL1067873SCHEMBL14259033-MethylcyclobutanecarboxaldehydeSCHEMBL14316098SCHEMBL15369951WSIKZXHZNUEYPX-UHFFFAOYSA-N
Show more names
DB-194222EN300-761322
Database identifiers
- CAS
872286-84-5- PubChem CID
- 53782318
- EC Number
- 827-819-3
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 72
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Related reactions
1 records
Compound notes
Loading…