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CAS 589-35-5 3-METHYL-1-PENTANOL molecular structure lightbox
CAS RN: 589-35-5

3-METHYL-1-PENTANOL

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250401 25ml In stock Shanghai, Shandong Inquiry
Batchno.20251104 5ml In stock Shanghai, Guangdong Inquiry
  • Product code: SSC-167259
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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: 25g
  • 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 589-35-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

589-35-5 / 3-methylpentan-1-ol

Standard CAS: 589-35-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
589-35-5
Multi CAS
Yes
Molecular Formula
C6H14O
Molecular Weight
102.170000
Exact Mass
102.104465
InChI
InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3
InChIKey
IWTBVKIGCDZRPL-UHFFFAOYSA-N

Physical Properties

Boiling Point
151.00 to 152.00 °C. @ 760.00 mm Hg
Density
0.823
Physical Description
colourless liquid with a pungent wine-like, cocoa odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.16
TPSA
20.23

LogP / Solubility

WLOGP
1.41
MLOGP
1.23
XLogP3
1.8
Consensus LogP
1.48
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-2.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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