[email protected]
CAS 106-27-4 Isoamyl Butyrate molecular structure lightbox
CAS RN: 106-27-4

Isoamyl Butyrate

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250704 100ml In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20250420 10L In stock Shandong Inquiry
Batchno.20251026 2.5L In stock Shanghai, Shandong Inquiry
Batchno.20250115 500ml In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250226 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260525 5ml In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: SSC-007640
GET A QUOTE
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
Request Bulk Quote

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 106-27-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

106-27-4 / 3-methylbutyl butanoate

Isoamyl butyrate | Isopentyl butyrate | 3-Methylbutyl butanoate

Standard CAS: 106-27-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
106-27-4
Multi CAS
No
Molecular Formula
C9H18O2
Molecular Weight
158.240000
Exact Mass
158.130680
SMILES
CCCC(=O)OCCC(C)C
InChI
InChI=1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3
InChIKey
PQLMXFQTAMDXIZ-UHFFFAOYSA-N
Synonyms
Isoamyl butyrate Isopentyl butyrate 3-Methylbutyl butanoate ISOPENTYL BUTANOATE Isoamyl butanoate

Physical Properties

Melting Point
-73.2 °C
Boiling Point
179.00 °C. @ 760.00 mm Hg
Density
0.861 - 0.866
Physical Description
Liquid Colourless liquid with a fruity odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
45.32
TPSA
26.3

LogP / Solubility

WLOGP
2.38
MLOGP
2.09
XLogP3
2.6
Consensus LogP
2.36
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (98.6%): Flammable liquid and vapor [Warning Flammable liquids] H412 (94.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H226: Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501 P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Customers Also Viewed

Get In Touch

Contact Us