Basic information
- CAS
36687-98-6- Standard SMILES
COC(C)(C)C(C)=O- InChIKey
WIDVGAUYQJKBRR-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Overview
3-methoxy-3-methyl-2-butanone is a ketone.
Names & identifiers
- Preferred name
- 2-Butanone, 3-methoxy-3-methyl-
- IUPAC
- 3-methoxy-3-methylbutan-2-one
- English name
- 2-Butanone, 3-methoxy-3-methyl- (6CI,7CI,9CI)
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
36687-98-63-METHOXY-3-METHYL-2-BUTANONE2-Butanone, 3-methoxy-3-methyl-DTXSID00190132RefChem:85933DTXCID10112623WIDVGAUYQJKBRR-UHFFFAOYSA-N3-methoxy-3-methylbutan-2-one3-Methoxy-3-methyl-butan-2-oneMFCD188133832-Butanone, 3-methoxy-3-methyl- (6CI,7CI,9CI)SCHEMBL1449319
Show more names
2-Butanone,3-methoxy-3-methyl-
CHEBI:1390613-Methoxy-3-methyl-2-butanone #AKOS017413444s102042-BUTANONE, 3-METHOXY-3-METHYLDB-269866CS-0312446EN300-196652
Database identifiers
- CAS
36687-98-6- PubChem CID
- 37508
- DTXSID
DTXSID00190132- ChEBI
CHEBI:139061- EC Number
- 829-250-6
- Nikkaji
- J101.021B
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 94.7
Physicochemical properties
- Boiling point
- 124 · 124-127 °C
- Density
- 0.9055 g/cm3 · 0.9055 g/cm3(Temp: 18 °C)
- LogP
- 0.17 · 0.170 (est)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H226
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, 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.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H335-H315-H319-H226
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers6 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海相辉医药科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Additional notes
DefinitionChEBI: 3-methoxy-3-methyl-2-butanone is a ketone.
Related reactions
1 records
Compound notes
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