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CAS 7443-70-1 cis-2-Methylcyclohexanol molecular structure lightbox
CAS RN: 7443-70-1

cis-2-Methylcyclohexanol

  • Product code: SSC-183905
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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: 5g
  • 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 7443-70-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

7443-70-1 / 2-methylcyclohexan-1-ol

Standard CAS: 7443-70-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7443-70-1
Multi CAS
Yes
Molecular Formula
C7H14O
Molecular Weight
114.190000
Exact Mass
114.104465
InChI
InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3
InChIKey
NDVWOBYBJYUSMF-UHFFFAOYSA-N

Physical Properties

Melting Point
less than -6 °F (USCG, 1999) -9.5 °C
Boiling Point
325.4 to 330.8 °F at 760 mmHg (USCG, 1999) 165-166 °C
Density
0.93 (USCG, 1999) - Less dense than water; will float Relative density (water = 1): 0.93
Physical Description
Straw-colored liquid with a weak odor of coconut oil. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999) COLOURLESS VISCOUS LIQUID WITH CHARACTERISTIC ODOUR.
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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