Basic information
- CAS
19549-80-5- Standard SMILES
CC(=O)CC(C)CC(C)C- InChIKey
YXFDTUKUWNQPFV-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Names & identifiers
- Preferred name
- 2-Heptanone, 4,6-dimethyl-
- IUPAC
- 4,6-dimethylheptan-2-one
- English name
- 4,6-DIMETHYL-2-HEPTANONE
- Molecular formula
- C9H18O
- Molecular weight
- 142.24
Names & synonyms
19549-80-54,6-Dimethyl-2-heptanone2-Heptanone, 4,6-dimethyl-EINECS 243-148-3DTXSID20527844,6Dimethyl2heptanone4,6Dimethylheptan2oneRefChem:87248DTXCID60210587YXFDTUKUWNQPFV-UHFFFAOYSA-N4,6-Dimethylheptan-2-oneMFCD00048360
Show more names
4,6-dimethyl-2-heptanon
4,6-dimethylheptanoneSCHEMBL183207SCHEMBL28092510UAA54980AKOS006275380DS-6352DB-065885CS-0449098
Database identifiers
- CAS
19549-80-5- PubChem CID
- 89180
- DTXSID
DTXSID2052784- EC Number
- 243-148-3
- Nikkaji
- J242.853I
Properties
Computed structural properties
- XLogP
- 2.5
- 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
Experimental & physicochemical properties
SolventsSolvents -> Ketones (<C12)
Physical DescriptionCBI
Physicochemical properties
- Boiling point
- 190 · 190-191 °C
- Density
- 0.9024 g/cm3 · 0.9024 g/cm3(Temp: 0 °C)
- storage temp.
- 2 · 2-8°C
- Appearance
- Colorless to light yellow Liquid
- EPA Substance Registry System
- 2 · 2-Heptanone, 4,6-dimethyl- (19549-80-5)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225
- Precautionary statements
- 210 · P210-P403+P235
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 78% (298 of 382) of all reports.
Warning
H226 (22%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 382 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
2-Heptanone, 4,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Heptanone, 4,6-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
2-Heptanone, 4,6-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA skin and eye irritant; [ChemSampCo MSDS] See Diisobutyl ketone.
Hazard Classes and CategoriesFlam. Liq. 3 (22%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Industry UsesSolvent
General Manufacturing Information
Electrical Equipment, Appliance, and Component Manufacturing
2-Heptanone, 4,6-dimethyl-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers31 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Dalian Ruiying Technology Co., Ltd.
Related reactions
1 records
Compound notes
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