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Basic information
- CAS
14090-87-0- Standard SMILES
CCCCC(=O)CC(C)=O- InChIKey
GJYXGIIWJFZCLN-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 2,4-Octanedione
- IUPAC
- octane-2,4-dione
- English name
- 2,4-Octanedione
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
2,4-OctanedioneOctane-2,4-dioneValerylacetoneK72DM9EH73DTXSID30161491RefChem:82633DTXCID3083982GJYXGIIWJFZCLN-UHFFFAOYSA-N14090-87-024-Octanedione2,4-octanedionEINECS 237-937-1
Show more names
AKOS MSC-03712,4-OCTANEDIONE, 98+%
UNII-K72DM9EH73SCHEMBL932652,4-Octanedione, AldrichCPRorb2939516SCHEMBL25178980MFCD00015259TYD-01085AKOS004115497
Database identifiers
- CAS
14090-87-0- PubChem CID
- 84192
- DTXSID
DTXSID30161491- UNII
- K72DM9EH73
- EC Number
- 237-937-1
- Nikkaji
- J144.377A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- -34.7 °C · -34.7°C
- Boiling point
- 97 · 97-99°C 27mm
- Density
- 0 · 0,923 g/cm3
- refractive index
- 1.461 · 1.4610
- Flash point
- 71 °C · 71°C
- form
- solid
- pka
- 9.3 · 9.30±0.10(Predicted)
- Water Solubility
- 3.92 g/L · 3.92g/L(25 ºC)
- BRN
- 1751147 · 1751147
- InChI
- 1S/C8H14O2/c1-3-4-5-8(10)6-7(2)9/h3-6H2,1-2H3
- InChIKey
- GJYXGIIWJFZCLN-UHFFFAOYSA-N
- SMILES
- CCCCC(=O)CC(C)=O
- LogP
- 1.798 · 1.798 (est)
- FDA UNII
- 72 DM9EH73 · K72DM9EH73
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses2,4-Octanedione is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Suppliers15 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
石家庄琪跃化工有限公司15369111890 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Related reactions
15 records
Compound notes
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