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54450-84-9

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54450-84-9 Structure

54450-84-9 Structure
IdentificationBack Directory
[Name]

CYCLOBUTANE-1,1-DICARBOXYLIC ACID ETHYL ESTER
[CAS]

54450-84-9
[Synonyms]

Monoethyl 1,1-cyclobutanedicarboxylate
oxycarbonylcyclobutane-1-carboxylic acid
CYCLOBUTANE-1,1-DICARBOXYLIC ACID ETHYL ESTER
1,1-Cyclobutanedicarboxylic acid, 1-ethyl ester
1-(ethoxycarbonyl)cyclobutane-1-carboxylic acid
[Molecular Formula]

C8H12O4
[MDL Number]

MFCD10699115
[MOL File]

54450-84-9.mol
[Molecular Weight]

172.18
Chemical PropertiesBack Directory
[Boiling point ]

228.5-229.5 °C(Press: 765 Torr)
[density ]

1.117 g/mL at 25 °C
[refractive index ]

n20/D1.451
[Fp ]

>110℃
[storage temp. ]

Storage temp. 2-8°C
[form ]

liquid
[pka]

3.00±0.20(Predicted)
[Appearance]

Colorless to light yellow Liquid
[InChI]

1S/C8H12O4/c1-2-12-7(11)8(6(9)10)4-3-5-8/h2-5H2,1H3,(H,9,10)
[InChIKey]

XYHZRSFKDSWLHW-UHFFFAOYSA-N
[SMILES]

CCOC(=O)C1(CCC1)C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

22-36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2917200090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

CYCLOBUTANE-1,1-DICARBOXYLIC ACID ETHYL ESTER(54450-84-9)1HNMR
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