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CAS 591-23-1 3-Methylcyclohexanol (cis- and trans- mixture) molecular structure lightbox
CAS RN: 591-23-1

3-Methylcyclohexanol (cis- and trans- mixture)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250204 25ml / 100ml Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-167488
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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 591-23-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ≥95% 0 Out of Stock Beijing Inquiry

591-23-1 / 3-methylcyclohexan-1-ol

Standard CAS: 591-23-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
591-23-1
Multi CAS
Yes
Molecular Formula
C7H14O
Molecular Weight
114.190000
Exact Mass
114.104465
InChI
InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3
InChIKey
HTSABYAWKQAHBT-UHFFFAOYSA-N

Physical Properties

Melting Point
-5.5 °C (cis-isomer)
Boiling Point
162.00 to 164.00 °C. @ 760.00 mm Hg 174 °C
Density
Relative density (water = 1): 0.92
Physical Description
Colorless viscous liquid; [ICSC] Clear light yellow liquid; COLOURLESS VISCOUS 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
2.5

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