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CAS 452-86-8 4-Methylcatechol molecular structure lightbox
CAS RN: 452-86-8

4-Methylcatechol

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260610 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250419 100g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250204 2.5kg In stock Shanghai Inquiry
Batchno.20250717 25g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20250202 500g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250226 100g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250718 1kg In stock Shanghai Inquiry
Batchno.20251024 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250512 500g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-153018
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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: 10g, 25g, 100g, 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 452-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry
500g ＞97% 0 Out of Stock Shanghai Inquiry

452-86-8 / 4-methylbenzene-1,2-diol

Standard CAS: 452-86-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
452-86-8
Multi CAS
Yes
Molecular Formula
C7H8O2
Molecular Weight
124.140000
Exact Mass
124.052429
InChI
InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
InChIKey
ZBCATMYQYDCTIZ-UHFFFAOYSA-N

Physical Properties

Melting Point
65 °C
Physical Description
White or light brown solid; Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.51
TPSA
40.46

LogP / Solubility

WLOGP
1.41
MLOGP
1.23
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
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)
-2.48

Drug-likeness / Medicinal Chemistry

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

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