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CAS 112-66-3 Dodecyl Acetate molecular structure lightbox
CAS RN: 112-66-3

Dodecyl Acetate

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260125 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260128 1kg Out of stock Inquiry
Batchno.20250828 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250401 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: ICTA0902
  • Purity/Analytical Methods: >95.0%(GC)
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112-66-3 / dodecyl acetate

DODECYL ACETATE | Lauryl acetate | 1-Dodecanol acetate

Standard CAS: 112-66-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
112-66-3
Multi CAS
No
Molecular Formula
C14H28O2
Molecular Weight
228.370000
Exact Mass
228.208930
SMILES
CCCCCCCCCCCCOC(=O)C
InChI
InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3
InChIKey
VZWGRQBCURJOMT-UHFFFAOYSA-N
Synonyms
DODECYL ACETATE Lauryl acetate 1-Dodecanol acetate Acetic acid, dodecyl ester Dodecanol acetate

Physical Properties

Melting Point
1.3 °C
Boiling Point
150.00 °C. @ 15.00 mm Hg
Density
0.860-0.865
Physical Description
Colorless liquid; Liquid colourless liquid with a waxy, citrus-rose odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.93
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
68.48
TPSA
26.3

LogP / Solubility

WLOGP
4.47
MLOGP
3.94
XLogP3
5.6
Consensus LogP
4.67
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-0.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1553 of 1592 companies (only 2.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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