Basic information
- CAS
18641-71-9- Standard SMILES
CCCC(C)C(=O)C(C)C- InChIKey
MMEXTUAHJZOQKN-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Names & identifiers
- Preferred name
- 2,4-Dimethyl-3-heptanone
- IUPAC
- 2,4-dimethylheptan-3-one
- English name
- 2,4-Dimethyl-3-heptanone
- Molecular formula
- C9H18O
- Molecular weight
- 142.24
Names & synonyms
2,4-DIMETHYL-3-HEPTANONE18641-71-93-Heptanone, 2,4-dimethyl-RefChem:82502631-592-4MMEXTUAHJZOQKN-UHFFFAOYSA-N2,4-dimethylheptan-3-oneMFCD00027146SCHEMBL3448289DTXSID30940081AKOS006227586AS-58317
Show more names
3-Heptanone, 2,4-Dime2-AMYL ISOPROPYL KETONE2-pentyl isopropyl ketone
DB-044599CS-0333769
Database identifiers
- CAS
18641-71-9- PubChem CID
- 29178
- DTXSID
DTXSID30940081- EC Number
- 631-592-4
- Nikkaji
- J113.953C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 170 ℃ · 170℃
- Density
- 0.812 · 0.812
- Flash point
- 44 ° · 44°(111°F)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Stability
- Volatile
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 261 · P261
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37
- HazardClass
- 3 · 3
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
H319 (90.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (90.7%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 26-37
- hazard_class
- 3
- Hazard statements
- H226
- Precautionary statements
- P261
Chemistry & industry
Applications
Uses2,4-Dimethyl-3-heptanone can be useful in characterization of key differential volatile component in different grades of Dianhong Congou tea infusions by combination of sensory evaluation.
Suppliers8 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
杭州东帆化学有限公司86-0571-85151182
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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