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CAS 103694-68-4 2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL molecular structure lightbox
CAS RN: 103694-68-4

2,2-DIMETHYL-3-(3-METHYLPHENYL) PROPANOL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250206 100g / 500g / 2.5kg Confirm by inquiry Shandong, Guangdong Inquiry
  • Product code: SSC-005278
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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: 500g
  • 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 103694-68-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞97% 0 Out of Stock Hong Kong Inquiry

103694-68-4 / 2,2-dimethyl-3-(3-methylphenyl)propan-1-ol

Majantol | Benzenepropanol, beta,beta,3-trimethyl- | 7S411YY2VY

Standard CAS: 103694-68-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
103694-68-4
Multi CAS
No
Molecular Formula
C12H18O
Molecular Weight
178.270000
Exact Mass
178.135765
SMILES
CC1=CC(=CC=C1)CC(C)(C)CO
InChI
InChI=1S/C12H18O/c1-10-5-4-6-11(7-10)8-12(2,3)9-13/h4-7,13H,8-9H2,1-3H3
InChIKey
FYMOBFDUZIDKMI-UHFFFAOYSA-N
Synonyms
Majantol Benzenepropanol, beta,beta,3-trimethyl- 7S411YY2VY RefChem:899824 403-140-4

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.75
TPSA
20.23

LogP / Solubility

WLOGP
2.56
MLOGP
2.25
XLogP3
3.1
Consensus LogP
2.64
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.3
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)
-1.99

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
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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