Home > Compound List > Compound details
1193-11-9 molecular structure
click picture or here to close

2,2,4-trimethyl-1,3-dioxolane

ChemBase ID: 295750
Molecular Formular: C6H12O2
Molecular Mass: 116.15828
Monoisotopic Mass: 116.08372962
SMILES and InChIs

SMILES:
CC1COC(O1)(C)C
Canonical SMILES:
CC1COC(O1)(C)C
InChI:
InChI=1S/C6H12O2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3
InChIKey:
ALTFLAPROMVXNX-UHFFFAOYSA-N

Cite this record

CBID:295750 http://www.chembase.cn/molecule-295750.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,4-trimethyl-1,3-dioxolane
IUPAC Traditional name
2,2,4-trimethyl-1,3-dioxolane
Synonyms
2,2,4-Trimethyl-1,3-dioxolane
2,2,4-三甲基-1,3-二噁茂烷
CAS Number
1193-11-9
EC Number
214-766-0
MDL Number
MFCD00090841
PubChem SID
180681281
PubChem CID
62384

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
B21823 external link Add to cart Please log in.
Data Source Data ID
PubChem 62384 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9103206  LogD (pH = 7.4) 0.9103206 
Log P 0.9103206  Molar Refractivity 31.1794 cm3
Polarizability 12.446784 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
98°C expand Show data source
Flash Point
32°C(90°F) expand Show data source
Density
0.897 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
UN3271 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
III expand Show data source
Risk Statements
10-36/37/38 expand Show data source
Safety Statements
23-26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
Purity
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle