[email protected]
CAS 589-18-4 4-Methylbenzyl Alcohol molecular structure lightbox
CAS RN: 589-18-4

4-Methylbenzyl Alcohol

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250601 100g In stock Shanghai, Shandong Inquiry
Batchno.20250214 2.5kg Out of stock 5-7 business days Inquiry
Batchno.20250410 25g In stock Shandong, Guangdong, Hebei Inquiry
Batchno.20260408 500g In stock Shandong Inquiry
  • Product code: SSC-167256
GET A QUOTE
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
Request Bulk Quote

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 589-18-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞97% 0 Out of Stock Hong Kong Inquiry

589-18-4 / (4-methylphenyl)methanol

Standard CAS: 589-18-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
589-18-4
Multi CAS
Yes
Molecular Formula
C8H10O
Molecular Weight
122.160000
Exact Mass
122.073165
InChI
InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
InChIKey
KMTDMTZBNYGUNX-UHFFFAOYSA-N

Physical Properties

Melting Point
138 to 142 °F (NTP, 1992) 61.5 °C 61 - 62 °C
Boiling Point
423 °F at 760 mmHg (NTP, 1992) 217 °C 217.00 to 218.00 °C. @ 760.00 mm Hg
Density
0.978 at 72 °F (NTP, 1992) - Less dense than water; will float 0.978 g/cu cm at 22 °C
Physical Description
P-methyl benzyl alcohol appears as needles or off-white crystalline powder. (NTP, 1992) White solid; [HSDB] White crystalline solid; Solid White solid; Weak floral aroma
Appearance
Needles from ligroin White crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.1
TPSA
20.23

LogP / Solubility

WLOGP
1.49
MLOGP
1.3
XLogP3
1.6
Consensus LogP
1.46
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.41

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us