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CAS 696-29-7 Isopropylcyclohexane molecular structure lightbox
CAS RN: 696-29-7

Isopropylcyclohexane

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250729 100g Out of stock Inquiry
Batchno.20250206 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250528 5g In stock Shanghai Inquiry
  • Product code: SSC-179291
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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: ≥99%
  • 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 696-29-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥99% 0 Out of Stock Shanghai Inquiry

696-29-7 / propan-2-ylcyclohexane

Standard CAS: 696-29-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
696-29-7
Multi CAS
No
Molecular Formula
C9H18
Molecular Weight
126.240000
Exact Mass
126.140851
InChI
InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKey
GWESVXSMPKAFAS-UHFFFAOYSA-N

Physical Properties

Melting Point
-129 °F (USCG, 1999) -89.8 °C
Boiling Point
310 °F at 760 mmHg (USCG, 1999) 154.00 to 155.00 °C. @ 760.00 mm Hg
Density
0.8023 at 68 °F (USCG, 1999) - Less dense than water; will float
Physical Description
Isopropyl cyclohexane is a colorless liquid. (USCG, 1999) Colorless liquid; [CAMEO] Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
Molar refractivity
41.41
TPSA
0.0000

LogP / Solubility

WLOGP
3.22
MLOGP
2.83
XLogP3
4.3
Consensus LogP
3.45
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
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)
-1.2

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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