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CAS 2078-54-8 2,6-Diisopropylphenol molecular structure lightbox
CAS RN: 2078-54-8

2,6-Diisopropylphenol

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250426 100g In stock Inquiry
Batchno.20251029 25g In stock Inquiry
Batchno.20260314 500g In stock Inquiry
Batchno.20260111 5g In stock Inquiry
  • Product code: SSC-097780
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 25g, 100g, 500g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2078-54-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 5 In Stock Hong Kong Inquiry
25g ≥98% 5 In Stock Hong Kong Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry
500g ≥98% 0 Out of Stock Shanghai Inquiry
1000g ≥98% 0 Out of Stock Shenzhen Inquiry

2078-54-8 / 2,6-di(propan-2-yl)phenol

Standard CAS: 2078-54-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2078-54-8
Multi CAS
No
Molecular Formula
C12H18O
Molecular Weight
178.270000
Exact Mass
178.135765
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)O
InChI
InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
InChIKey
OLBCVFGFOZPWHH-UHFFFAOYSA-N

Physical Properties

Melting Point
18 °C
Boiling Point
242 °C 254.00 to 256.00 °C. @ 764.00 mm Hg
Density
0.955 g/cu cm @ 20 °C
Physical Description
Liquid
Appearance
Light-straw-colored liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.28
TPSA
20.23

LogP / Solubility

WLOGP
3.64
MLOGP
3.2
XLogP3
3.8
Consensus LogP
3.55
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly 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)
-1.22

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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