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CAS 101-48-4 Phenylacetaldehyde Dimethyl Acetal molecular structure lightbox
CAS RN: 101-48-4

Phenylacetaldehyde Dimethyl Acetal

  • Product code: SSC-001819
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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: 25ml
  • 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 101-48-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ≥95% 0 Out of Stock Shenzhen Inquiry

101-48-4 / 2,2-dimethoxyethylbenzene

(2,2-Dimethoxyethyl)benzene | Phenylacetaldehyde dimethyl acetal | Viridine

Standard CAS: 101-48-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
101-48-4
Multi CAS
No
Molecular Formula
C10H14O2
Molecular Weight
166.220000
Exact Mass
166.099380
SMILES
COC(CC1=CC=CC=C1)OC
InChI
InChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey
WNJSKZBEWNVKGU-UHFFFAOYSA-N
Synonyms
(2,2-Dimethoxyethyl)benzene Phenylacetaldehyde dimethyl acetal Viridine Hyscylene P 1,1-Dimethoxy-2-phenylethane

Physical Properties

Boiling Point
219.00 to 221.00 °C. @ 754.00 mm Hg
Density
1.000-1.006
Physical Description
Liquid Colourless liquid; powerful green-earthy, flower stem like odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
47.95
TPSA
18.46

LogP / Solubility

WLOGP
1.85
MLOGP
1.62
XLogP3
2.1
Consensus LogP
1.86
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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