1,3-Dioxolan-2-one, 4,4-dimethyl-
Basic information
- CAS
4437-69-8- Standard SMILES
CC1(C)COC(=O)O1- InChIKey
PUEFXLJYTSRTGI-UHFFFAOYSA-N- Molecular formula
- C5H8O3
- Average molar mass
- 116.11 g/mol
- Monoisotopic mass
- 116.04734411
Names & identifiers
- Preferred name
- 1,3-Dioxolan-2-one, 4,4-dimethyl-
- IUPAC
- 4,4-dimethyl-1,3-dioxolan-2-one
- English name
- 4,4-dimethyl-1,3-dioxolan-2-one
- Molecular formula
- C5H8O3
- Molecular weight
- 116.12
Names & synonyms
4,4-Dimethyl-1,3-dioxolan-2-one1,3-Dioxolan-2-one, 4,4-dimethyl-EINECS 224-652-2DTXSID3063465RefChem:72791DTXCID2040317224-652-24437-69-8Carbonic acid 1,1-Dimethylethylene Ester; Carbonic Acid Cyclic 1,1-Dimethylethylene Ester; 2-Methyl-1,2-propanediol Cyclic Carbonate; 1,1-Dimethylethylene Carbonate; Isobutylene Carbonate;t-butylene carbonateSCHEMBL231128PUEFXLJYTSRTGI-UHFFFAOYSA-N
Show more names
Isobutylene Carbonate1,1-DiMethylethylene Carbonate2-Oxo-4-methyl-4-methyl-1,3-dioxolaneCarbonic acid 1,1-DiMethylethylene Ester2-Methyl-1,2-propanediol Cyclic CarbonateCarbonic Acid Cyclic 1,1-DiMethylethylene Ester
AKOS030254787DB-305200NS00031421EN300-1678923
Database identifiers
- CAS
4437-69-8- PubChem CID
- 78174
- DTXSID
DTXSID3063465- EC Number
- 224-652-2
- Nikkaji
- J205.819G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Boiling point
- 58 °C · 58 °C(Press: 1-2 Torr)
- Density
- 1.098 · 1.098±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White to Pale Yello
- Stability
- Hygroscopic
- EPA Substance Registry System
- 1 · 1,3-Dioxolan-2-one, 4,4-dimethyl- (4437-69-8)
- TSCA
- TSCA listed
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
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
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxolan-2-one, 4,4-dimethyl-: ACTIVE
Applications
Uses4,4-Dimethyl-1,3-dioxolan-2-one (cas# 4437-69-8) is a compound useful in organic synthesis.
Suppliers
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Related reactions
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Compound notes
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