Basic information
- CAS
70203-04-2- Standard SMILES
CCCCCCC(C(C)=O)C(=O)OC- InChIKey
HBVHDPSYAJZFEF-UHFFFAOYSA-N- Molecular formula
- C11H20O3
- Average molar mass
- 200.27 g/mol
- Monoisotopic mass
- 200.1412445
Names & identifiers
- Preferred name
- Methyl 2-acetyloctanoate
- IUPAC
- methyl 2-acetyloctanoate
- English name
- Methyl 2-hexylacetoacetate
- Molecular formula
- C11H20O3
- Molecular weight
- 200.28
Names & synonyms
Methyl 2-acetyloctanoate70203-04-2DTXSID70392065RefChem:354002DTXCID903429262-acetyl-octanoic acid methyl esterMethyl 2-hexylacetoacetateMethyl 2-Acetyloctanoate; Methyl 2-Hexylacetoacetate; Methyl 2-Hexylacetylacetonate; Methyl alpha-HexylacetoacetateSCHEMBL3289939MFCD09954610AKOS015915389AC-8414
Show more names
HKEMETHYL 3-OXODECANOATEMETHYL 3-KETODECANOATE2-(1-oxopropyl)octanoateMethyl 2-HexylactoacetateMethyl n-hexylacetoacetateMethyl 2-n-hexylacetoacetateINTERMEDIATE OFAZIDOTHYMIDINE
DB-055389
Database identifiers
- CAS
70203-04-2- PubChem CID
- 3390996
- DTXSID
DTXSID70392065- Nikkaji
- J132.497G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 248 °C · 248°C
- Density
- 0.95 g/mL · 0.950 g/mL at 20 °C(lit.)
- storage temp.
- Refrigerator
- solubility
- Chloroform(Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- pka
- 11.87 · 11.87±0.59(Predicted)
- color
- Colourless
- CAS DataBase Reference
- 70203 · 70203-04-2(CAS DataBase Reference)
- Hazard Codes
- N
- Risk Statements
- 51 · 51/53-50
- Safety Statements
- 60 · 60-61
- RIDADR
- 3082 · UN 3082 9/PG 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.
Safety data
- ridadr
- UN 3082 9/PG 3
- risk_code
- 51/53-50
- hazard_code
- N
- safety_code
- 60-61
Chemistry & industry
Applications
UsesMethyl 2-hexylacetoacetate is a reagent used in the preparation of agrochemicals and antimicrobial agents.
Suppliers26 total
镇江中智化学科技有限公司0511-15050866711; 15050866711 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
扬州千行化学科技有限公司18051976595
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
15 records
Compound notes
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