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CAS 108-82-7 2,6-Dimethyl-4-heptanol molecular structure lightbox
CAS RN: 108-82-7

2,6-Dimethyl-4-heptanol

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250228 100ml In stock Inquiry
Batchno.20260302 25ml In stock Inquiry
Batchno.20250711 500ml In stock Inquiry
  • Product code: SSC-009304
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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: 25g
  • Available purity: 80%
  • 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 108-82-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g 80% 0 Out of Stock Hong Kong Inquiry

108-82-7 / 2,6-dimethylheptan-4-ol

2,6-Dimethylheptan-4-ol | 2,6-Dimethyl-4-heptanol | Diisobutylcarbinol

Standard CAS: 108-82-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
108-82-7
Multi CAS
No
Molecular Formula
C9H20O
Molecular Weight
144.250000
Exact Mass
144.151415
SMILES
CC(C)CC(CC(C)C)O
InChI
InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3
InChIKey
HXQPUEQDBSPXTE-UHFFFAOYSA-N
Synonyms
2,6-Dimethylheptan-4-ol 2,6-Dimethyl-4-heptanol Diisobutylcarbinol DIISOBUTYL CARBINOL 4-Heptanol, 2,6-dimethyl-

Physical Properties

Melting Point
-85 °F (USCG, 1999) FP: SETS TO GLASS BELOW -65 °C
Boiling Point
352 °F at 760 mmHg (USCG, 1999) 176-177 °C @ 760 MM HG 174.00 to 178.00 °C. @ 760.00 mm Hg
Density
0.812 at 68 °F (USCG, 1999) - Less dense than water; will float 0.809 @ 21 °C/4 °C DENSITY OF SATURATED AIR: 1.001; PERCENT IN SATURATED AIR: 0.027 0.809-0.815 (20°)
Physical Description
Diisobutylcarbinol appears as a colorless liquid. Flash point 162 °F. Less dense than water and insoluble in water. Vapors heavier than air. Liquid Colorless liquid; [HSDB] colourless liquid
Appearance
COLORLESS LIQUID
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.92
TPSA
20.23

LogP / Solubility

WLOGP
2.44
MLOGP
2.14
XLogP3
3
Consensus LogP
2.53
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-1.87

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (12.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (10.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H336 (11.5%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects] H412 (12.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H227: Combustible liquid [Warning Flammable liquids]
Precautionary Statement Codes
P261, P264+P265, P271, P273, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501 P210, P264+P265, P280, P305+P351+P338, P337+P317, P370+P378, P403, and P501

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