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CAS 68527-76-4 ETHYL VANILLIN PROPYLENE GLYCOL ACETAL molecular structure lightbox
CAS RN: 68527-76-4

ETHYL VANILLIN PROPYLENE GLYCOL ACETAL

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250814 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250107 25g In stock Shanghai Inquiry
Batchno.20250603 500g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-178264
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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: 100g
  • 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 68527-76-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

68527-76-4 / 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol

Standard CAS: 68527-76-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
68527-76-4
Multi CAS
Yes
Molecular Formula
C12H16O4
Molecular Weight
224.250000
Exact Mass
224.104859
InChI
InChI=1S/C12H16O4/c1-3-14-11-6-9(4-5-10(11)13)12-15-7-8(2)16-12/h4-6,8,12-13H,3,7H2,1-2H3
InChIKey
IFUIILQWHYHIEK-UHFFFAOYSA-N

Physical Properties

Boiling Point
160.00 °C. @ 1.00 mm Hg
Density
1.161-1.175
Physical Description
colourless to pale yellow liquid with a faint vanillic odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.52
TPSA
47.92

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
1.7
Consensus LogP
1.96
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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