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116193-72-7

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116193-72-7 Structure

116193-72-7 Structure
IdentificationBack Directory
[Name]

1,3-Dioxane-5-carboxylicacid,2-(1-methylethyl)-(9CI)
[CAS]

116193-72-7
[Synonyms]

-1,3-dioxane-5-carboxyL
2-ISOPROPYL-1,3-DIOXANE-5-CABOXYLIC ACID
2-Isopropyl-1,3-dioxane-5-carboxylic Acid
2-(1-Methylethyl)-1,3-dioxane-5-carboxylic Acid
1,3-Dioxane-5-carboxylic acid, 2-(1-methylethyl)-
1,3-Dioxane-5-carboxylicacid,2-(1-methylethyl)-(9CI)
[EINECS(EC#)]

418-170-3
[Molecular Formula]

C8H14O4
[MDL Number]

MFCD18805724
[MOL File]

116193-72-7.mol
[Molecular Weight]

174.19
Chemical PropertiesBack Directory
[Boiling point ]

289.6±35.0 °C(Predicted)
[density ]

1.139±0.06 g/cm3(Predicted)
[solubility ]

Chloroform
[form ]

Solid
[pka]

3.87±0.40(Predicted)
[color ]

Off-White
[InChI]

InChI=1S/C8H14O4/c1-5(2)8-11-3-6(4-12-8)7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)
[InChIKey]

LAMFNZWIXHJCMW-UHFFFAOYSA-N
[SMILES]

O1CC(C(O)=O)COC1C(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H318-H412
[Precautionary statements ]

P280-P305+P351+P338-P310-P273-P501
[REACH Registrations]

Inactive
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

Intermediate in the preparation of Iobitridol.
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