Basic information
- CAS
1860-39-5- Standard SMILES
CC(C)CCCC=O- InChIKey
GEKRISJWBAIIAA-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- 5-Methylhexan-1-al
- IUPAC
- 5-methylhexanal
- English name
- 5-Methylhexanal
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
5-Methylhexanal1860-39-55-METHYLHEXAN-1-ALDTXSID20171827RefChem:1073149DTXCID0094318875-832-85-Methylhexanal-d7947141-18-6Hexanal, 5-methyl-5-Methylhexanal #MFCD16824606
Show more names
SCHEMBL231303SCHEMBL269512SCHEMBL10412966SCHEMBL10960393SCHEMBL23529539AKOS011895034SY276844DB-359094
Database identifiers
- CAS
1860-39-5- PubChem CID
- 15827
- DTXSID
DTXSID20171827- EC Number
- 875-832-8
- Nikkaji
- J99.909A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 57.4
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -43.35 °C · -43.35°C (estimate)
- Boiling point
- 143.73 °C · 143.73°C (estimate)
- Density
- 0.8225 · 0.8225 (estimate)
- refractive index
- 1.4121 · 1.4121 (estimate)
- LogP
- 2.286 · 2.286 (est)
Safety & regulation
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)
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%)
Chemistry & industry
Applications
UsesAn intermediate in the synthesis of flavolipids as antitumor agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers13 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
上海先臣化工有限公司+86-021-64606569 +86-18049800532 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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