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CAS 10022-28-3 n-Octanal Dimethyl Acetal molecular structure lightbox
CAS RN: 10022-28-3

n-Octanal Dimethyl Acetal

  • Product code: SSC-000648
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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 10022-28-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ≥95% 0 Out of Stock Beijing Inquiry

10022-28-3 / 1,1-dimethoxyoctane

1,1-Dimethoxyoctane | Octane, 1,1-dimethoxy- | Octanal dimethyl acetal

Standard CAS: 10022-28-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
10022-28-3
Multi CAS
No
Molecular Formula
C10H22O2
Molecular Weight
174.280000
Exact Mass
174.161980
SMILES
CCCCCCCC(OC)OC
InChI
InChI=1S/C10H22O2/c1-4-5-6-7-8-9-10(11-2)12-3/h10H,4-9H2,1-3H3
InChIKey
BZOOCKAFKVYAOZ-UHFFFAOYSA-N
Synonyms
1,1-Dimethoxyoctane Octane, 1,1-dimethoxy- Octanal dimethyl acetal Octaldehyde dimethyl acetal Caprylaldehyde dimethyl acetal

Physical Properties

Boiling Point
185.00 to 188.00 °C. @ 760.00 mm Hg
Density
0.841-0.851
Physical Description
colourless liquid with a green, woody, citrusy odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
51.18
TPSA
18.46

LogP / Solubility

WLOGP
2.97
MLOGP
2.61
XLogP3
3.5
Consensus LogP
3.03
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly 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)
-1.68

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
1.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1511 of 1538 companies (only 1.8% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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