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CAS 2639-63-6 Hexyl Butyrate molecular structure lightbox
CAS RN: 2639-63-6

Hexyl Butyrate

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260110 5g / 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250709 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-123878
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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: ≥98%
  • 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 2639-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

2639-63-6 / hexyl butanoate

Standard CAS: 2639-63-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2639-63-6
Multi CAS
No
Molecular Formula
C10H20O2
Molecular Weight
172.260000
Exact Mass
172.146330
SMILES
CCCCCCOC(=O)CCC
InChI
InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
InChIKey
XAPCMTMQBXLDBB-UHFFFAOYSA-N

Physical Properties

Melting Point
-78 °C
Boiling Point
204.00 to 206.00 °C. @ 760.00 mm Hg
Density
0.858-0.869
Physical Description
Liquid Colorless liquid; colourless to pale yellow liquid with a fruity, apricot odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
50.01
TPSA
26.3

LogP / Solubility

WLOGP
2.91
MLOGP
2.56
XLogP3
3.3
Consensus LogP
2.92
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
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)
-1.7

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

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