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CAS 1599-49-1 4-METHYL-2-PENTYL-1,3-DIOXOLANE molecular structure lightbox
CAS RN: 1599-49-1

4-METHYL-2-PENTYL-1,3-DIOXOLANE

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251211 100g In stock Shanghai Inquiry
Batchno.20251017 25g In stock Shanghai, Hebei Inquiry
Batchno.20250629 500g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260614 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260116 25g In stock Tianjin Inquiry
Batchno.20260207 500g In stock Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-067884
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1599-49-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

1599-49-1 / 4-methyl-2-pentyl-1,3-dioxolane

Standard CAS: 1599-49-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1599-49-1
Multi CAS
No
Molecular Formula
C9H18O2
Molecular Weight
158.240000
Exact Mass
158.130680
SMILES
CCCCCC1OCC(O1)C
InChI
InChI=1S/C9H18O2/c1-3-4-5-6-9-10-7-8(2)11-9/h8-9H,3-7H2,1-2H3
InChIKey
GWMSIWCZZKMUQM-UHFFFAOYSA-N

Physical Properties

Boiling Point
82.00 °C. @ 18.00 mm Hg
Density
0.893-0.901
Physical Description
colourless to pale yellow liquid with a mild , fruity, pear-like odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
44.43
TPSA
18.46

LogP / Solubility

WLOGP
2.33
MLOGP
2.04
XLogP3
2.6
Consensus LogP
2.32
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1287 of 1402 companies (only 8.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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