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CAS 6624-71-1 DODECYL ISOBUTYRATE molecular structure lightbox
CAS RN: 6624-71-1

DODECYL ISOBUTYRATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251218 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-175878
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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 6624-71-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

6624-71-1 / dodecyl 2-methylpropanoate

Standard CAS: 6624-71-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6624-71-1
Multi CAS
Yes
Molecular Formula
C16H32O2
Molecular Weight
256.420000
Exact Mass
256.240230
InChI
InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h15H,4-14H2,1-3H3
InChIKey
LDPLLPONRGVDGK-UHFFFAOYSA-N

Physical Properties

Boiling Point
299.00 °C. @ 760.00 mm Hg
Density
0.854-0.860 (20°/20°)
Physical Description
liquid/slightly fruity or practically odourless
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.94
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
77.64
TPSA
26.3

LogP / Solubility

WLOGP
5.11
MLOGP
4.5
XLogP3
6.6
Consensus LogP
5.4
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.01
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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