Basic information
- CAS
2550-28-9- Standard SMILES
C#CCCC(C)=O- InChIKey
MQVQPQJPNZJTAY-UHFFFAOYSA-N- Molecular formula
- C6H8O
- Average molar mass
- 96.13 g/mol
- Monoisotopic mass
- 96.05751487
Names & identifiers
- Preferred name
- 5-Hexyn-2-one
- IUPAC
- hex-5-yn-2-one
- English name
- 1-HEXYN-5-ONE
- Molecular formula
- C6H8O
- Molecular weight
- 96.13
Names & synonyms
5-Hexyn-2-one2550-28-9DTXSID50180189RefChem:102720DTXCID10102680hex-5-yn-2-onepropargylacetone1-HEXYN-5-ONESCHEMBL1415277SCHEMBL22032822SCHEMBL27641586AKOS009391544
Show more names
CS-0225157EN300-1229332
Database identifiers
- CAS
2550-28-9- PubChem CID
- 137635
- DTXSID
DTXSID50180189- EC Number
- 863-583-8
- Nikkaji
- J1.186.451A
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
LogP0.58
Physicochemical properties
- Boiling point
- 149 °C · 149°C (estimate)
- Density
- 0.9065 · 0.9065
- refractive index
- 1.4366 · 1.4366
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H226-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H335-H319-H226-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers13 total
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
上海鑫矽新材料有限公司13585834793 13660927110 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
Baoji Guokang Healthchem Co., Ltd.+86-0917-3909592 +86-13892490616 · [email protected]
海门瑞一医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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