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CAS 104-45-0 p-Propyl anisole molecular structure lightbox
CAS RN: 104-45-0

p-Propyl anisole

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260411 100g In stock Wuhan, Chengdu Inquiry
Batchno.20250820 1kg In stock Shanghai Inquiry
Batchno.20260617 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251112 500g Out of stock Inquiry
Batchno.20250806 5g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250917 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-005728
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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: 5g
  • 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 104-45-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

104-45-0 / 1-methoxy-4-propylbenzene

4-Propylanisole | 1-Methoxy-4-propylbenzene | Dihydroanethole

Standard CAS: 104-45-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
104-45-0
Multi CAS
Yes
Molecular Formula
C10H14O
Molecular Weight
150.220000
Exact Mass
150.104465
SMILES
CCCC1=CC=C(C=C1)OC
InChI
InChI=1S/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3
InChIKey
KBHWKXNXTURZCD-UHFFFAOYSA-N
Synonyms
4-Propylanisole 1-Methoxy-4-propylbenzene Dihydroanethole p-Propyl anisole p-Propylanisole

Physical Properties

Boiling Point
212.00 to 213.00 °C. @ 760.00 mm Hg
Density
0.940-0.943
Physical Description
colourless to pale yellow liquid, Sweet herbaceous quite powerful aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
46.99
TPSA
9.23

LogP / Solubility

WLOGP
2.65
MLOGP
2.32
XLogP3
3.5
Consensus LogP
2.82
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
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)
-1.76

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1538 of 1538 companies. For more detailed information, please visit ECHA C&L website.

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