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CAS 1498-96-0 4-Butoxybenzoic Acid molecular structure lightbox
CAS RN: 1498-96-0

4-Butoxybenzoic Acid

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251205 100g In stock Inquiry
Batchno.20250920 1g In stock Inquiry
Batchno.20250708 25g In stock Inquiry
Batchno.20250824 500g In stock Inquiry
Batchno.20250211 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260515 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250712 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250710 25g In stock Shenzhen, Wuhan Inquiry
Batchno.20260411 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-059737
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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: 25g
  • Available purity: ≥98%
  • 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 1498-96-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

1498-96-0 / 4-butoxybenzoic acid

Standard CAS: 1498-96-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1498-96-0
Multi CAS
No
Molecular Formula
C11H14O3
Molecular Weight
194.230000
Exact Mass
194.094294
SMILES
CCCCOC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C11H14O3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
InChIKey
LAUFPZPAKULAGB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.8
TPSA
46.53

LogP / Solubility

WLOGP
2.56
MLOGP
2.26
XLogP3
3.6
Consensus LogP
2.81
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-2.08

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

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): 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

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