Basic information
- CAS
7217-26-7- Standard SMILES
CC(C)=[18O]- InChIKey
CSCPPACGZOOCGX-DOMIDYPGSA-N- Molecular formula
- C3H6O
- Average molar mass
- 60.08 g/mol
- Monoisotopic mass
- 60.0461098
Names & identifiers
- Preferred name
- Acetone-18O
- IUPAC
- propan-2-(18O)one
- English name
- ACETONE-18O
- Molecular formula
- C3H6O
- Molecular weight
- 61.11
Names & synonyms
Acetone-18O7217-26-7DTXSID10469780RefChem:316815DTXCID10420598propan-2-(18O)onePropan-2-(~18~O)oneSCHEMBL31046791Acetone-18O, 90 atom % 18O
Database identifiers
- CAS
7217-26-7- PubChem CID
- 11636788
- DTXSID
DTXSID10469780- EC Number
- 693-567-4
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 26.3
Physicochemical properties
- Melting point
- -94 °C · -94 °C(lit.)
- Boiling point
- 56 °C · 56 °C(lit.)
- Density
- 0.816 g/mL · 0.816 g/mL at 25 °C
- Flash point
- -17 °C · -17 °C
- form
- liquid
- InChI
- 1S/C3H6O/c1-3(2)4/h1-2H3/i4+2
- InChIKey
- CSCPPACGZOOCGX-DOMIDYPGSA-N
- SMILES
- CC(C)=[18O]
- UNSPSC Code
- 12352115 · 12352115
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225-H319-H336
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P403+P233-P405-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
- target organs
- Central nervous system
- Hazard Codes
- F,Xi
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- wgk
- WGK 1
- ridadr
- UN 1090 3/PG 2
- risk_code
- 11-36-66-67
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02
- hazard_code
- F,Xi
- safety_code
- 9-16-26
- Storage Class
- 3 - Flammable liquids
- target organs
- Central nervous system
- Hazard statements
- H225-H319-H336
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2STOT SE 3
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P403+P233-P405-P501-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Applications
Uses- Atmospheric and Environmental tracer studies- Oxygen exchange reactions in Chemical kinetics- Biogeochemical cycling research- Mass spectrometry calibration
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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