[email protected]
CAS 1072-47-5 4-Methyl-1,3-dioxolane molecular structure lightbox
CAS RN: 1072-47-5

4-Methyl-1,3-dioxolane

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250411 1ml / 5ml / 25ml / 100ml Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250510 1ml Out of stock 8-10 business days Inquiry
Batchno.20260507 5ml In stock Shanghai Inquiry
  • Product code: ICTM0916
  • Purity/Analytical Methods: >98.0%(GC)
GET A QUOTE

1072-47-5 / 4-methyl-1,3-dioxolane

4-Methyl-1,3-dioxolane | 1,3-Dioxolane, 4-methyl- | EINECS 214-008-9

Standard CAS: 1072-47-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1072-47-5
Multi CAS
Yes
Molecular Formula
C4H8O2
Molecular Weight
88.110000
Exact Mass
88.052429
SMILES
CC1COCO1
InChI
InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3
InChIKey
SBUOHGKIOVRDKY-UHFFFAOYSA-N
Synonyms
4-Methyl-1,3-dioxolane 1,3-Dioxolane, 4-methyl- EINECS 214-008-9 DTXSID50883643 RefChem:99693

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
2
Molar refractivity
21.37
TPSA
18.46

LogP / Solubility

WLOGP
0.38
MLOGP
0.32
XLogP3
0.2
Consensus LogP
0.3
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-0.56
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Flammable
Signal
Danger
GHS Hazard Statements
H225 (91.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Customers Also Viewed

Get In Touch

Contact Us