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CAS 589-91-3 4-Methylcyclohexanol (cis- and trans- mixture) molecular structure lightbox
CAS RN: 589-91-3

4-Methylcyclohexanol (cis- and trans- mixture)

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250908 100ml In stock Inquiry
Batchno.20260405 25ml In stock Inquiry
Batchno.20250305 500ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250916 100ml In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20251217 25ml In stock Shanghai, Shandong Inquiry
Batchno.20260225 5ml In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-167269
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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: 100ml
  • 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 589-91-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100ml ≥97% 0 Out of Stock Shanghai Inquiry

589-91-3 / 4-methylcyclohexan-1-ol

Standard CAS: 589-91-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
589-91-3
Multi CAS
Yes
Molecular Formula
C7H14O
Molecular Weight
114.190000
Exact Mass
114.104465
InChI
InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3
InChIKey
MQWCXKGKQLNYQG-UHFFFAOYSA-N

Physical Properties

Melting Point
-9.2 °C (cis-isomer)
Boiling Point
173 °C
Density
Relative density (water = 1): 0.92
Physical Description
Colorless liquid; [ICSC] COLOURLESS LIQUID.
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.64
TPSA
20.23

LogP / Solubility

WLOGP
1.56
MLOGP
1.36
XLogP3
1.8
Consensus LogP
1.57
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-2.31

Drug-likeness / Medicinal Chemistry

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

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