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CAS 144-39-8 Linalyl Propionate molecular structure lightbox
CAS RN: 144-39-8

Linalyl Propionate

  • Product code: SSC-055258
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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: 25ml
  • 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 144-39-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ≥95% 0 Out of Stock Hong Kong Inquiry

144-39-8 / 3,7-dimethylocta-1,6-dien-3-yl propanoate

Standard CAS: 144-39-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
144-39-8
Multi CAS
No
Molecular Formula
C13H22O2
Molecular Weight
210.310000
Exact Mass
210.161980
SMILES
CCC(=O)OC(C)(CCC=C(C)C)C=C
InChI
InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3
InChIKey
WAQIIHCCEMGYKP-UHFFFAOYSA-N

Physical Properties

Boiling Point
115.00 °C. @ 10.00 mm Hg
Density
0.893-0.902
Physical Description
Liquid colourless or almost colourless liquid with a fresh, floral, sweet, fruity, pear-like odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
63.65
TPSA
26.3

LogP / Solubility

WLOGP
3.63
MLOGP
3.2
XLogP3
3.8
Consensus LogP
3.54
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.76
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)
-1.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Environmental Hazard
GHS Hazard Statements
H411 (78%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

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