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CAS 106-30-9 Ethyl Heptanoate molecular structure lightbox
CAS RN: 106-30-9

Ethyl Heptanoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250422 5ml In stock Inquiry
  • Product code: SSC-007642
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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: 500ml
  • 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 106-30-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
500ml ＞97% 0 Out of Stock Hong Kong Inquiry

106-30-9 / ethyl heptanoate

ETHYL HEPTANOATE | Ethyl enanthate | Oenanthic ether

Standard CAS: 106-30-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
106-30-9
Multi CAS
Yes
Molecular Formula
C9H18O2
Molecular Weight
158.240000
Exact Mass
158.130680
SMILES
CCCCCCC(=O)OCC
InChI
InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3
InChIKey
TVQGDYNRXLTQAP-UHFFFAOYSA-N
Synonyms
ETHYL HEPTANOATE Ethyl enanthate Oenanthic ether Ethyl heptylate Ethyl heptoate

Physical Properties

Melting Point
-66.1 °C
Boiling Point
188.00 to 189.00 °C. @ 760.00 mm Hg
Density
0.867-0.872
Physical Description
Liquid Colourless liquid with a wine, brandy-like odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
45.39
TPSA
26.3

LogP / Solubility

WLOGP
2.52
MLOGP
2.21
XLogP3
2.9
Consensus LogP
2.54
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.5
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)
-1.9

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)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (72.5%): Flammable liquid and vapor [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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