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CAS 87-20-7 Isoamyl Salicylate (contains 2-Methylbutyl Salicylate) molecular structure lightbox
CAS RN: 87-20-7

Isoamyl Salicylate (contains 2-Methylbutyl Salicylate)

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251122 10g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20260204 1kg Out of stock 5-7 business days Inquiry
Batchno.20260316 250g In stock Shanghai Inquiry
Batchno.20250531 50g In stock Shanghai, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250527 10g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250731 10g / 50g / 250g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-196394
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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: 25g
  • 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 87-20-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

87-20-7 / 3-methylbutyl 2-hydroxybenzoate

Standard CAS: 87-20-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
87-20-7
Multi CAS
Yes
Molecular Formula
C12H16O3
Molecular Weight
208.250000
Exact Mass
208.109944
InChI
InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
InChIKey
PMGCQNGBLMMXEW-UHFFFAOYSA-N

Physical Properties

Boiling Point
277.00 to 278.00 °C. @ 760.00 mm Hg
Density
1.046-1.055
Physical Description
Liquid colourless oily liquid with a sweet herbaceous-green, slightly floral odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.84
TPSA
46.53

LogP / Solubility

WLOGP
2.6
MLOGP
2.28
XLogP3
4.6
Consensus LogP
3.16
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-2.15

Drug-likeness / Medicinal Chemistry

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

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