CAS RN: 112-14-1
n-Octyl Acetate
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251211 | 100ml | In stock | Shandong, Chongqing | Inquiry | |
| Batchno.20260220 | 10L | In stock | Shandong | Inquiry | |
| Batchno.20250120 | 2.5L | In stock | Shanghai, Shandong, Guangdong | Inquiry | |
| Batchno.20250504 | 25ml | In stock | Shanghai, Shandong, Chongqing | Inquiry | |
| Batchno.20250606 | 500ml | In stock | Shanghai, Shandong, Guangdong, Chongqing | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250109 | 25ml / 100ml / 500ml | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: SSC-012468
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
112-14-1 / octyl acetate
Octyl acetate | n-Octyl acetate | Acetic acid, octyl ester
Basic Information
CAS
112-14-1
Multi CAS
Yes
Molecular Formula
C10H20O2
Molecular Weight
172.260000
Exact Mass
172.146330
SMILES
CCCCCCCCOC(=O)C
InChI
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
InChIKey
YLYBTZIQSIBWLI-UHFFFAOYSA-N
Synonyms
Octyl acetate
n-Octyl acetate
Acetic acid, octyl ester
Caprylyl acetate
Octyl ethanoate
Physical Properties
Melting Point
-38.5 °C
Boiling Point
206.00 to 211.00 °C. @ 760.00 mm Hg
Density
0.865-0.868
Physical Description
Colorless liquid with an odor like orange blossom or jasmine;
Liquid
colourless liquid with a fruity, orange-like, jasmine-like odour
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
50.01
TPSA
26.3
LogP / Solubility
WLOGP
2.91
MLOGP
2.56
XLogP3
3.4
Consensus LogP
2.96
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
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)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
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 1646 of 1661 companies (only 0.9% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
