Basic information
- CAS
1626-09-1- Standard SMILES
CC(=O)CCCCC(C)=O- InChIKey
NZGDDIUIXYFYFO-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 2,7-Octanedione
- IUPAC
- octane-2,7-dione
- English name
- Octane-2,7-dione
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
2,7-OCTANEDIONE1626-09-1UNII-PSE2579CPJPSE2579CPJNSC-108364DTXSID90870895NSC 108364RefChem:83561DTXCID10818577NZGDDIUIXYFYFO-UHFFFAOYSA-Noctane-2,7-dioneMFCD00219019
Show more names
2,7-octadioneSCHEMBL620309BAA62609NSC108364AKOS025296048BS-49062SY423125DB-244707
Database identifiers
- CAS
1626-09-1、3214-41-3- PubChem CID
- 74196
- DTXSID
DTXSID90870895- UNII
- PSE2579CPJ
- EC Number
- 893-448-9
- Nikkaji
- J110.623F
Properties
Computed structural properties
- XLogP
- 0.3
- 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
- 111
Experimental & physicochemical properties
SolventsSolvents -> Ketones (<C12)
Physicochemical properties
- Melting point
- 44 °C · 44°C
- Boiling point
- 189.78 °C · 189.78°C (rough estimate)
- Density
- 0.9438 · 0.9438 (estimate)
- refractive index
- 1.4559 · 1.4559 (estimate)
- LogP
- 0.407 · 0.407 (est)
- FDA UNII
- 2579 CPJ · PSE2579CPJ
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, 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
Hazards SummarySee 2-Octanone.
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers11 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
湖北世腾化工科技有限公司18971850150 19086915685 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
1 records
Compound notes
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