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CAS 110-42-9 Methyl Decanoate [Standard Material for GC] molecular structure lightbox
CAS RN: 110-42-9

Methyl Decanoate [Standard Material for GC]

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260101 100g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250901 1kg In stock Shanghai Inquiry
Batchno.20250830 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250419 500g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-011252
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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: ≥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 110-42-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

110-42-9 / methyl decanoate

METHYL DECANOATE | Methyl caprate | Decanoic acid, methyl ester

Standard CAS: 110-42-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
110-42-9
Multi CAS
Yes
Molecular Formula
C11H22O2
Molecular Weight
186.290000
Exact Mass
186.161980
SMILES
CCCCCCCCCC(=O)OC
InChI
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
InChIKey
YRHYCMZPEVDGFQ-UHFFFAOYSA-N
Synonyms
METHYL DECANOATE Methyl caprate Decanoic acid, methyl ester Capric acid methyl ester Methyl caprinate

Physical Properties

Melting Point
-18 °C
Boiling Point
224 °C @ 760 mm Hg 108.00 °C. @ 10.00 mm Hg
Density
0.8730 @ 20 °C/4 °C
Physical Description
Liquid Liquid; [IUCLID] Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.91
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
54.63
TPSA
26.3

LogP / Solubility

WLOGP
3.3
MLOGP
2.9
XLogP3
4.7
Consensus LogP
3.63
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.57
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)
-1.51

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

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H411 (53%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H227: Combustible liquid [Warning Flammable liquids]
Precautionary Statement Codes
P273, P391, and P501 P210, P280, P370+P378, P403, and P501

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