Completing data — refresh the page later to see the latest
Basic information
- CAS
6175-23-1- Standard SMILES
CCCCCC(=O)CC(C)=O- InChIKey
KFBXUKHERGLHLG-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Overview
2,4-Nonanedione is a beta-diketone.
Names & identifiers
- Preferred name
- 2,4-Nonanedione
- IUPAC
- nonane-2,4-dione
- English name
- 2,4-NONANEDIONE
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
2,4-NonanedioneNonane-2,4-dione3I1VDR4QHWEINECS 228-219-9UNII-3I1VDR4QHWNSC-71552AI3-12187DTXSID50210753NSC 71552NSC-20699RefChem:82629DTXCID80133244
Show more names
2,4-Nonadione2,4-Nonanedione,98+%
228-219-9KFBXUKHERGLHLG-UHFFFAOYSA-N6175-23-1MFCD00015276caproylacetone24-NonanedioneNSC71552NCIOpen2_000340
Database identifiers
- CAS
6175-23-1- PubChem CID
- 80314
- DTXSID
DTXSID50210753- ChEBI
CHEBI:171751- UNII
- 3I1VDR4QHW
- EC Number
- 228-219-9
- Nikkaji
- J211.439I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Experimental & physicochemical properties
Melting Point-18 °C
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- -18 °C · -18°C
- Boiling point
- 100 · 100-103°C 19mm
- Density
- 0.938 · 0.9380
- refractive index
- 1.4608 · 1.4608
- Flash point
- 100 · 100-103°C/19mm
- storage temp.
- Store at room temperature
- pka
- 9.28 · 9.28±0.10(Predicted)
- Appearance
- Colorless to off-white Liquid
- BRN
- 1757688 · 1757688
- FDA UNII
- 3 I1VDR4QHW · 3I1VDR4QHW
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H317-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers23 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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]
上海金易精细化工有限公司021-52801082 13918092929 · [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]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
石家庄琪跃化工有限公司15369111890 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
Related reactions
7 records
Compound notes
Loading…