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CAS 10032-15-2 Hexyl 2-Methylbutanoate molecular structure lightbox
CAS RN: 10032-15-2

Hexyl 2-Methylbutanoate

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260625 50g / 250g / 1kg Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251216 5g In stock Shanghai, Chongqing Inquiry
  • Product code: SSC-000831
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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: ≥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 10032-15-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

10032-15-2 / hexyl 2-methylbutanoate

Hexyl 2-methylbutanoate | Hexyl 2-methylbutyrate | Butanoic acid, 2-methyl-, hexyl ester

Standard CAS: 10032-15-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
10032-15-2
Multi CAS
No
Molecular Formula
C11H22O2
Molecular Weight
186.290000
Exact Mass
186.161980
SMILES
CCCCCCOC(=O)C(C)CC
InChI
InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3
InChIKey
YUECNVSODFDKOQ-UHFFFAOYSA-N
Synonyms
Hexyl 2-methylbutanoate Hexyl 2-methylbutyrate Butanoic acid, 2-methyl-, hexyl ester BUTYRIC ACID, 2-METHYL-, HEXYL ESTER FEMA No. 3499

Physical Properties

Boiling Point
105.00 °C. @ 30.00 mm Hg
Density
0.854-0.859
Physical Description
colourless liquid/strong, fresh-green, fruity odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.91
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
54.56
TPSA
26.3

LogP / Solubility

WLOGP
3.16
MLOGP
2.78
XLogP3
3.8
Consensus LogP
3.25
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.33
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)
-1.62

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
2

Safety & Transport

Pictogram(s)
Flammable Environmental Hazard
Signal
Warning
GHS Hazard Statements
H226 (14.8%): Flammable liquid and vapor [Warning Flammable liquids] H411 (24.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, and P501

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