[email protected]
CAS 10415-87-9 3-Methyl-1-phenyl-3-pentanol molecular structure lightbox
CAS RN: 10415-87-9

3-Methyl-1-phenyl-3-pentanol

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250621 1g / 5g / 25g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: SSC-005922
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: 5g
  • Available purity: ≥95%
  • 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 10415-87-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

10415-87-9 / 3-methyl-1-phenylpentan-3-ol

1-Phenyl-3-methyl-3-pentanol | RefChem:503503 | 3-Methyl-1-phenyl-3-pentanol

Standard CAS: 10415-87-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
10415-87-9
Multi CAS
Yes
Molecular Formula
C12H18O
Molecular Weight
178.270000
Exact Mass
178.135765
SMILES
CCC(C)(CCC1=CC=CC=C1)O
InChI
InChI=1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3
InChIKey
AEJRTNBCFUOSEM-UHFFFAOYSA-N
Synonyms
1-Phenyl-3-methyl-3-pentanol RefChem:503503 3-Methyl-1-phenyl-3-pentanol 3-Methyl-1-phenylpentan-3-ol Phenethylmethylethylcarbinol

Physical Properties

Boiling Point
112.00 to 112.50 °C. @ 0.80 mm Hg
Density
0.958-0.965 (20°)
Physical Description
Colourless, slightly viscous liquid; Warm, rose-like aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.68
TPSA
20.23

LogP / Solubility

WLOGP
2.78
MLOGP
2.44
XLogP3
3
Consensus LogP
2.74
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-1.83

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1598 of 1637 companies (only 2.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Customers Also Viewed

Get In Touch

Contact Us