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CAS 1579-40-4 Di-p-tolyl Ether molecular structure lightbox
CAS RN: 1579-40-4

Di-p-tolyl Ether

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260105 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260626 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-066593
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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 1579-40-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

1579-40-4 / 1-methyl-4-(4-methylphenoxy)benzene

Standard CAS: 1579-40-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1579-40-4
Multi CAS
No
Molecular Formula
C14H14O
Molecular Weight
198.260000
Exact Mass
198.104465
SMILES
CC1=CC=C(C=C1)OC2=CC=C(C=C2)C
InChI
InChI=1S/C14H14O/c1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
YWYHGNUFMPSTTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
62.43
TPSA
9.23

LogP / Solubility

WLOGP
4.1
MLOGP
3.6
XLogP3
4.2
Consensus LogP
3.97
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.02

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

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (52.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (51.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (51.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (51.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (51.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 P264, P270, P273, P301+P317, P330, P391, and P501

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