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CAS 110-36-1 Butyl Myristate molecular structure lightbox
CAS RN: 110-36-1

Butyl Myristate

  • Product code: SSC-011248
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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 110-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

110-36-1 / butyl tetradecanoate

BUTYL MYRISTATE | Butyl tetradecanoate | Myristic acid n-butyl ester

Standard CAS: 110-36-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
110-36-1
Multi CAS
No
Molecular Formula
C18H36O2
Molecular Weight
284.500000
Exact Mass
284.271530
SMILES
CCCCCCCCCCCCCC(=O)OCCCC
InChI
InChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18(19)20-17-6-4-2/h3-17H2,1-2H3
InChIKey
DHAZIUXMHRHVMP-UHFFFAOYSA-N
Synonyms
BUTYL MYRISTATE Butyl tetradecanoate Myristic acid n-butyl ester Tetradecanoic acid, butyl ester Bumyr

Physical Properties

Physical Description
Liquid Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.94
Rotatable bonds
15
H-bond acceptors
2
Molar refractivity
86.95
TPSA
26.3

LogP / Solubility

WLOGP
6.03
MLOGP
5.32
XLogP3
7.6
Consensus LogP
6.32
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.31
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)
-0.17

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
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P280, P302+P352, P321, P332+P317, and P362+P364

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