Basic information
- CAS
33884-41-2- Standard SMILES
CCOC=C(C(C)=O)C(C)=O- InChIKey
ITTXGKOHFZJUEX-UHFFFAOYSA-N- Molecular formula
- C8H12O3
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.07864424
Names & identifiers
- Preferred name
- 3-(Ethoxymethylene)pentane-2,4-dione
- IUPAC
- 3-(ethoxymethylidene)pentane-2,4-dione
- English name
- 3-(Ethoxymethylene)-2,4-pentanedione
- Molecular formula
- C8H12O3
- Molecular weight
- 156.18
Names & synonyms
3-(ethoxymethylene)pentane-2,4-dioneDTXSID00286589RefChem:1067141DTXCID4023773733884-41-23-(ethoxymethylidene)pentane-2,4-dioneMFCD073686523-ETHOXYMETHYLENE-2,4-PENTANEDIONE3-(ethoxymethylene)-2,4-pentanedione2,4-Pentanedione, 3-(ethoxymethylene)-NSC46601SCHEMBL824578
Show more names
AKOS MSC-07423-(ETHOXYMETHYLENE)ACETYLACETONE3-Ethoxymethylene-2,4-pentandione3-(ethoxymethylene)-2,4-pentyldione3-ETHOXY METHYLENE PENTANE-2,4-DIONE3-(Ethoxymethylene)-2,4-pentanedione,97%3-Ethoxymethylene-2,4-pentanedione, 98+%3-(EthoxyMethylene)-2,4-pentanedione, 97% 5GR
ITTXGKOHFZJUEX-UHFFFAOYSA-NALBB-0179603-ethoxymethylene-pentan-2,4-dioneNSC-46601STL170046AKOS004115391AS-62959methyl 1-methylcarbonyl-2-ethoxyvinyl ketone
Database identifiers
- CAS
33884-41-2- PubChem CID
- 240418
- DTXSID
DTXSID00286589- EC Number
- 119-496-6
- Nikkaji
- J877.152I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 140 · 140-142 °C (16 mmHg)
- Density
- 1.01 g/ml · 1.01g/ml
- refractive index
- 1.483 · 1.483-1.485
- Flash point
- 140 · 140-142°C/15mm
- storage temp.
- 2 · 2-8°C
- CAS DataBase Reference
- 33884 · 33884-41-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HS Code
- 29145000 · 29145000
Safety & regulation
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29145000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers22 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海凌飞医药科技有限公司15618928656 · [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]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Related reactions
14 records
Compound notes
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