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CAS 26952-21-6 ISOOCTYL ALCOHOL molecular structure lightbox
CAS RN: 26952-21-6

ISOOCTYL ALCOHOL

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260521 100g In stock Shanghai Inquiry
Batchno.20260209 1kg In stock Shanghai Inquiry
Batchno.20250226 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251002 500g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-125442
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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: 100g
  • 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 26952-21-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

26952-21-6 / 6-methylheptan-1-ol

Standard CAS: 26952-21-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
26952-21-6
Multi CAS
No
Molecular Formula
C8H18O
Molecular Weight
130.230000
Exact Mass
130.135765
SMILES
CC(C)CCCCCO
InChI
InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKey
BWDBEAQIHAEVLV-UHFFFAOYSA-N

Physical Properties

Melting Point
less than 212 °F (USCG, 1999) -106 °C
Boiling Point
367 °F at 760 mmHg (USCG, 1999) 188 °C; 95.8 °C at 20 atm 367 °F
Density
0.832 at 68 °F (USCG, 1999) - Less dense than water; will float 0.8176 at 25 °C Bulk density = 6.95 lb/gal 0.832 0.83
Physical Description
Isooctyl alcohol appears as a clear colorless liquid with a faint pleasant odor. Flash point 180 °F. Less dense than water and insoluble in water. Vapors are heavier than air. Used as a solvent, in the making of cutting and lubricating oils, in hydraulic fluids, and in the production of other chemicals. Liquid Clear, colorless liquid; [NIOSH] Clear, colorless liquid with a faint, pleasant odor. Clear, colorless liquid.
Appearance
Clear, colorless liquid.
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.39
TPSA
20.23

LogP / Solubility

WLOGP
2.2
MLOGP
1.92
XLogP3
2.8
Consensus LogP
2.31
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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