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CAS 121-65-3 DODECYLBENZENESULFONIC ACID molecular structure lightbox
CAS RN: 121-65-3

DODECYLBENZENESULFONIC ACID

Product Availability

Choose a grade to view its available package options.

12 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250221 100ml In stock Inquiry
Batchno.20250824 100ml In stock Shanghai, Shandong Inquiry
Batchno.20251112 25ml In stock Inquiry
Batchno.20260521 25ml In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250726 500ml In stock Inquiry
Batchno.20251223 500ml In stock Shanghai Inquiry
Batchno.20251023 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251127 100g Out of stock Inquiry
Batchno.20260406 10g In stock Shanghai Inquiry
Batchno.20250413 1g In stock Shanghai Inquiry
Batchno.20250213 25g In stock Shanghai Inquiry
Batchno.20250312 5g In stock Shanghai Inquiry
  • Product code: SSC-022347
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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: ≥95%
  • 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 121-65-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

121-65-3 / 4-dodecylbenzenesulfonic acid

4-DODECYLBENZENESULFONIC ACID | p-dodecylbenzenesulfonic acid | Benzenesulfonic acid, 4-dodecyl-

Standard CAS: 121-65-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
121-65-3
Multi CAS
No
Molecular Formula
C18H30O3S
Molecular Weight
326.500000
Exact Mass
326.191566
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)
InChIKey
KWXICGTUELOLSQ-UHFFFAOYSA-N
Synonyms
4-DODECYLBENZENESULFONIC ACID p-dodecylbenzenesulfonic acid Benzenesulfonic acid, 4-dodecyl- 4-Dodecylbenzene-1-sulfonic acid dodecyl benzenesulfonic acid

Physical Properties

Melting Point
10 °C
Density
Relative density (water = 1): 1
Physical Description
YELLOW-TO-BROWN LIQUID.
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
91.8
TPSA
54.37

LogP / Solubility

WLOGP
5.4
MLOGP
4.76
XLogP3
7
Consensus LogP
5.72
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H302: Harmful if swallowed [Warning Acute toxicity, oral] H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501
Hazard Class/Division
8
Packing Group
III

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