[email protected]
CAS 1198-66-9 2′-Hydroxy-3′,5′-dimethylacetophenone molecular structure lightbox
CAS RN: 1198-66-9

2′-Hydroxy-3′,5′-dimethylacetophenone

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251225 100g In stock Inquiry
Batchno.20250814 1g In stock Inquiry
Batchno.20250130 25g In stock Inquiry
Batchno.20251024 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260219 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-020552
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: 5g
  • 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 1198-66-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1198-66-9 / 1-(2-hydroxy-3,5-dimethylphenyl)ethanone

1-(2-hydroxy-3,5-dimethylphenyl)ethan-1-one | RefChem:422182 | 672-550-5

Standard CAS: 1198-66-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1198-66-9
Multi CAS
No
Molecular Formula
C10H12O2
Molecular Weight
164.200000
Exact Mass
164.083730
SMILES
CC1=CC(=C(C(=C1)C(=O)C)O)C
InChI
InChI=1S/C10H12O2/c1-6-4-7(2)10(12)9(5-6)8(3)11/h4-5,12H,1-3H3
InChIKey
KBXDUOVVDZNQDY-UHFFFAOYSA-N
Synonyms
1-(2-hydroxy-3,5-dimethylphenyl)ethan-1-one RefChem:422182 672-550-5 3',5'-Dimethyl-2'-hydroxyacetophenone 1-(2-hydroxy-3,5-dimethylphenyl)ethanone

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.59
TPSA
37.3

LogP / Solubility

WLOGP
2.21
MLOGP
1.94
XLogP3
2.5
Consensus LogP
2.22
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.15

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us