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CAS 89-72-5 2-sec-Butylphenol molecular structure lightbox
CAS RN: 89-72-5

2-sec-Butylphenol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250625 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-200805
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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: 500g
  • Available purity: ≥97%
  • 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 89-72-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Beijing Inquiry

89-72-5 / 2-butan-2-ylphenol

Standard CAS: 89-72-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
89-72-5
Multi CAS
Yes
Molecular Formula
C10H14O
Molecular Weight
150.220000
Exact Mass
150.104465
InChI
InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3
InChIKey
NGFPWHGISWUQOI-UHFFFAOYSA-N

Physical Properties

Melting Point
54 °F (NTP, 1992) 14 °C 57 °F 61 °F
Boiling Point
439 to 442 °F at 760 mmHg (NTP, 1992) 224-237 °C 439-442 °F 227 °F
Density
0.981 at 77 °F (NTP, 1992) - Less dense than water; will float 0.9804 kg/l @ 25 °C Relative density (water = 1): 0.98 0.981 0.89
Physical Description
O-sec-butylphenol is a clear colorless liquid. (NTP, 1992) Liquid Colorless liquid or solid (below 61 degrees F); [NIOSH] COLOURLESS-TO-AMBER-COLOURED LIQUID OR SOLID. Colorless liquid or solid (below 61 °F).
Appearance
LIQUID Amber-colored liquid Colorless liquid or solid (below 61 degrees F).
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.81
TPSA
20.23

LogP / Solubility

WLOGP
2.91
MLOGP
2.55
XLogP3
3.4
Consensus LogP
2.95
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.29
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)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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