[email protected]
CAS 111-06-8 Butyl Palmitate molecular structure lightbox
CAS RN: 111-06-8

Butyl Palmitate

  • Product code: SSC-011873
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: 25g
  • Available purity: ≥95%
  • 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 111-06-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

111-06-8 / butyl hexadecanoate

BUTYL PALMITATE | Butyl hexadecanoate | Hexadecanoic acid, butyl ester

Standard CAS: 111-06-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
111-06-8
Multi CAS
Yes
Molecular Formula
C20H40O2
Molecular Weight
312.500000
Exact Mass
312.302831
SMILES
CCCCCCCCCCCCCCCC(=O)OCCCC
InChI
InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3
InChIKey
GLYJVQDYLFAUFC-UHFFFAOYSA-N
Synonyms
BUTYL PALMITATE Butyl hexadecanoate Hexadecanoic acid, butyl ester n-Butyl palmitate n-Butyl hexadecanoate

Physical Properties

Physical Description
Light yellow liquid or solid with a pleasant fruity odor; mp = 17 deg C; Liquid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.95
Rotatable bonds
17
H-bond acceptors
2
Molar refractivity
96.18
TPSA
26.3

LogP / Solubility

WLOGP
6.81
MLOGP
6.01
XLogP3
8.7
Consensus LogP
7.17
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.38
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.21

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 11 of 11 companies. For more detailed information, please visit ECHA C&L website.

Customers Also Viewed

Get In Touch

Contact Us