[email protected]
CAS 100-84-5 3-Methoxytoluene molecular structure lightbox
CAS RN: 100-84-5

3-Methoxytoluene

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250614 5ml / 25ml / 50ml / 100ml / 500ml / 2.5L Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250813 25ml / 100ml Out of stock 8-10 business days Inquiry
  • Product code: SSC-000031
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: 25g, 100g, 1000g
  • 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 100-84-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Beijing Inquiry
100g >97% 0 Out of Stock Beijing Inquiry
1000g >97% 0 Out of Stock Hong Kong Inquiry

100-84-5 / 1-methoxy-3-methylbenzene

3-Methoxytoluene | RefChem:433516 | 3-Methylanisole

Standard CAS: 100-84-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
100-84-5
Multi CAS
Yes
Molecular Formula
C8H10O
Molecular Weight
122.160000
Exact Mass
122.073165
SMILES
CC1=CC(=CC=C1)OC
InChI
InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
InChIKey
OSIGJGFTADMDOB-UHFFFAOYSA-N
Synonyms
3-Methoxytoluene RefChem:433516 3-Methylanisole 100-84-5 1-Methoxy-3-methylbenzene

Physical Properties

Physical Description
Colorless liquid with a pleasant odor
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
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H302 (87.8%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501

Customers Also Viewed

Get In Touch

Contact Us