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CAS 104-93-8 4-Methoxytoluene molecular structure lightbox
CAS RN: 104-93-8

4-Methoxytoluene

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250526 100ml In stock Inquiry
Batchno.20260424 2.5L In stock Inquiry
Batchno.20250328 25ml In stock Inquiry
Batchno.20260329 500ml In stock Inquiry
  • Product code: SSC-005758
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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: 100ml
  • Available purity: ≥95%
  • 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 104-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100ml ≥95% 0 Out of Stock Shenzhen Inquiry

104-93-8 / 1-methoxy-4-methylbenzene

4-Methylanisole | 1-METHOXY-4-METHYLBENZENE | 4-Methoxytoluene

Standard CAS: 104-93-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
104-93-8
Multi CAS
Yes
Molecular Formula
C8H10O
Molecular Weight
122.160000
Exact Mass
122.073165
SMILES
CC1=CC=C(C=C1)OC
InChI
InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
InChIKey
CHLICZRVGGXEOD-UHFFFAOYSA-N
Synonyms
4-Methylanisole 1-METHOXY-4-METHYLBENZENE 4-Methoxytoluene Benzene, 1-methoxy-4-methyl- p-Cresol methyl ether

Physical Properties

Melting Point
-32 °C
Boiling Point
175.5 °C AT 760 MM HG 175.50 °C. @ 760.00 mm Hg
Density
0.969 AT 25 °C/25 °C 0.996-1.004
Physical Description
Liquid Colorless liquid with a strong floral odor; [Hawley] Colourless liquid, Pungent sharp sweet aroma
Appearance
COLORLESS LIQUID
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
37.73
TPSA
9.23

LogP / Solubility

WLOGP
2
MLOGP
1.75
XLogP3
2.7
Consensus LogP
2.15
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-2.04

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)
Flammable Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H226 (86%): Flammable liquid and vapor [Warning Flammable liquids] H302 (99.9%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (99.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (11.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H361 (84%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P318, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501

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