[email protected]
CAS 13254-34-7 2,6-Dimethyl-2-heptanol molecular structure lightbox
CAS RN: 13254-34-7

2,6-Dimethyl-2-heptanol

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250726 100g In stock Inquiry
Batchno.20251221 10g In stock Inquiry
Batchno.20260613 250g In stock Inquiry
Batchno.20260428 25g In stock Inquiry
Batchno.20250201 50g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260321 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250429 10g / 50g / 250g / 1kg Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: starshine_CAS13254-34-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

13254-34-7 / 2,6-dimethylheptan-2-ol

Standard CAS: 13254-34-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13254-34-7
Multi CAS
No
Molecular Formula
C9H20O
Molecular Weight
144.250000
Exact Mass
144.151415
SMILES
CC(C)CCCC(C)(C)O
InChI
InChI=1S/C9H20O/c1-8(2)6-5-7-9(3,4)10/h8,10H,5-7H2,1-4H3
InChIKey
HGDVHRITTGWMJK-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.99
TPSA
20.23

LogP / Solubility

WLOGP
2.58
MLOGP
2.27
XLogP3
2.7
Consensus LogP
2.52
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
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)
-1.77

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (99.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (99.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Customers Also Viewed

Get In Touch

Contact Us