CAS RN: 1009-14-9
Valerophenone
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250413 | 100g | In stock | Shanghai, Shandong, Guangdong, Chongqing | Inquiry | |
| Batchno.20250627 | 2.5kg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260531 | 25g | In stock | Shanghai, Shandong, Chongqing | Inquiry | |
| Batchno.20260403 | 500g | In stock | Shanghai, Shandong, Guangdong | Inquiry | |
| Batchno.20260108 | 5g | In stock | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
- Product code: SSC-001634
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, 500g
- Available purity: ≥95%
- 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.
1009-14-9 / 1-phenylpentan-1-one
Valerophenone | 1-phenylpentan-1-one | Butyl phenyl ketone
Basic Information
CAS
1009-14-9
Multi CAS
Yes
Molecular Formula
C11H14O
Molecular Weight
162.230000
Exact Mass
162.104465
SMILES
CCCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey
XKGLSKVNOSHTAD-UHFFFAOYSA-N
Synonyms
Valerophenone
1-phenylpentan-1-one
Butyl phenyl ketone
1-Pentanone, 1-phenyl-
Pentanophenone
Physical Properties
Melting Point
-9.4 °C
Boiling Point
245.00 °C. @ 760.00 mm Hg
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
50.3
TPSA
17.07
LogP / Solubility
WLOGP
3.06
MLOGP
2.69
XLogP3
3
Consensus LogP
2.92
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly 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)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
