Basic information
- CAS
17429-04-8- Standard SMILES
COCCCC(C)=O- InChIKey
FXTIMAJUMAQUOG-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- 2-Pentanone, 5-methoxy-
- IUPAC
- 5-methoxypentan-2-one
- English name
- 2-Pentanone, 5-methoxy- (6CI,7CI,8CI,9CI)
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
17429-04-82-Pentanone, 5-methoxy-5-METHOXY-2-PENTANONE3-Methoxypropyl methyl ketoneDTXSID00169808RefChem:88979DTXCID0092299FXTIMAJUMAQUOG-UHFFFAOYSA-N5-methoxypentan-2-one2-Pentanone, 5-methoxy- (6CI,7CI,8CI,9CI)5-Methoxy-2-pentanone #SCHEMBL1682671
Show more names
SCHEMBL16097252AKOS009390036EBC-618159DB-270692EN300-106562G46737Z406376722
Database identifiers
- CAS
17429-04-8- PubChem CID
- 28540
- DTXSID
DTXSID00169808- EC Number
- 834-196-1
- Nikkaji
- J101.022K
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.9
Physicochemical properties
- Melting point
- 32 · 32-33 °C
- Boiling point
- 152 · 152-155 °C
- Density
- 0.9228 g/cm3 · 0.9228 g/cm3
- LogP
- 0.122 · 0.122 (est)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302-H226
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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
Warning
H226 (100%): Flammable liquid and vapor [Warning 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.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H335-H315-H319-H302-H226
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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