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CAS 142-91-6 Isopropyl Palmitate molecular structure lightbox
CAS RN: 142-91-6

Isopropyl Palmitate

  • Product code: SSC-052692
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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: 500g
  • 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 142-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Shanghai Inquiry

142-91-6 / propan-2-yl hexadecanoate

Standard CAS: 142-91-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
142-91-6
Multi CAS
No
Molecular Formula
C19H38O2
Molecular Weight
298.500000
Exact Mass
298.287180
SMILES
CCCCCCCCCCCCCCCC(=O)OC(C)C
InChI
InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
InChIKey
XUGNVMKQXJXZCD-UHFFFAOYSA-N

Physical Properties

Melting Point
13.5 °C 13 - 14 °C
Boiling Point
160 °C at 2 mm Hg 342.00 °C. @ 760.00 mm Hg
Density
0.852 g/mL at 25 °C Density: 0.8404 g/cu cm at 38 °C
Physical Description
Liquid Colorless liquid; mp = 14 deg C; [Hawley] Colorless liquid; mp = 11-13 deg C
Appearance
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.95
Rotatable bonds
15
H-bond acceptors
2
Molar refractivity
91.54
TPSA
26.3

LogP / Solubility

WLOGP
6.42
MLOGP
5.66
XLogP3
8.2
Consensus LogP
6.76
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 907 of 918 companies (only 1.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website. Reported as not meeting GHS hazard criteria by 11 of 11 companies. For more detailed information, please visit ECHA C&L website.

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