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CAS 14620-52-1 Dodecanal Dimethyl Acetal molecular structure lightbox
CAS RN: 14620-52-1

Dodecanal Dimethyl Acetal

  • Product code: SSC-057319
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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: 25ml
  • Available purity: ≥95%
  • 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 14620-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ≥95% 0 Out of Stock Shenzhen Inquiry

14620-52-1 / 1,1-dimethoxydodecane

Standard CAS: 14620-52-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
14620-52-1
Multi CAS
No
Molecular Formula
C14H30O2
Molecular Weight
230.390000
Exact Mass
230.224580
SMILES
CCCCCCCCCCCC(OC)OC
InChI
InChI=1S/C14H30O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h14H,4-13H2,1-3H3
InChIKey
AJUWUYJULVYGRA-UHFFFAOYSA-N

Physical Properties

Density
0.847-0.853
Physical Description
Clear, colourless liquid; Fatty, citrus-like aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
69.65
TPSA
18.46

LogP / Solubility

WLOGP
4.53
MLOGP
3.99
XLogP3
5.7
Consensus LogP
4.74
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
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)
-0.91

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 114 of 114 companies. For more detailed information, please visit ECHA C&L website.

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