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CAS 6938-45-0 BENZYL HEXANOATE molecular structure lightbox
CAS RN: 6938-45-0

BENZYL HEXANOATE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260227 100g In stock Inquiry
Batchno.20260611 25g In stock Inquiry
Batchno.20250111 500g In stock Inquiry
Batchno.20250807 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260316 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-179021
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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: 5g
  • 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 6938-45-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

6938-45-0 / benzyl hexanoate

Standard CAS: 6938-45-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6938-45-0
Multi CAS
Yes
Molecular Formula
C13H18O2
Molecular Weight
206.280000
Exact Mass
206.130680
InChI
InChI=1S/C13H18O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3
InChIKey
HRSXWUSONDBHSP-UHFFFAOYSA-N

Physical Properties

Density
0.980-0.990
Physical Description
Colourless to pale yellow liquid; Green apricot fruity gardenia and jasmine aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
60.38
TPSA
26.3

LogP / Solubility

WLOGP
3.31
MLOGP
2.91
XLogP3
3.9
Consensus LogP
3.37
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly 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)
-1.63

Drug-likeness / Medicinal Chemistry

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

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