[email protected]
CAS 10602-37-6 1,1,3,3-tetraethoxy-2-methylpropane molecular structure lightbox
CAS RN: 10602-37-6

1,1,3,3-tetraethoxy-2-methylpropane

  • Product code: SSC-007687
GET A QUOTE
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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 10602-37-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

10602-37-6 / 1,1,3,3-tetraethoxy-2-methylpropane

1,1,3,3-Tetraethoxy-2-methylpropane | EINECS 234-225-2 | 2-Methyl-1,1,3,3-tetraethoxypropane

Standard CAS: 10602-37-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10602-37-6
Multi CAS
Yes
Molecular Formula
C12H26O4
Molecular Weight
234.330000
Exact Mass
234.183109
SMILES
CCOC(C(C)C(OCC)OCC)OCC
InChI
InChI=1S/C12H26O4/c1-6-13-11(14-7-2)10(5)12(15-8-3)16-9-4/h10-12H,6-9H2,1-5H3
InChIKey
XTYLJMKJLMHFJK-UHFFFAOYSA-N
Synonyms
1,1,3,3-Tetraethoxy-2-methylpropane EINECS 234-225-2 2-Methyl-1,1,3,3-tetraethoxypropane T2853P7X59 Propane, 1,1,3,3-tetraethoxy-2-methyl-

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
63.24
TPSA
36.92

LogP / Solubility

WLOGP
2.42
MLOGP
2.13
XLogP3
2.2
Consensus LogP
2.25
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.39
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)
-2.43

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H227 (50%): Combustible liquid [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us