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CAS 104-43-8 4-Dodecylphenol molecular structure lightbox
CAS RN: 104-43-8

4-Dodecylphenol

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250722 1g In stock Shanghai Inquiry
Batchno.20260331 250mg In stock Shanghai, Guangdong Inquiry
  • Product code: SSC-005727
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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: 5g
  • 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 104-43-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

104-43-8 / 4-dodecylphenol

4-Dodecylphenol | Phenol, 4-dodecyl- | p-Dodecylphenol

Standard CAS: 104-43-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
104-43-8
Multi CAS
No
Molecular Formula
C18H30O
Molecular Weight
262.400000
Exact Mass
262.229666
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)O
InChI
InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16,19H,2-12H2,1H3
InChIKey
KJWMCPYEODZESQ-UHFFFAOYSA-N
Synonyms
4-Dodecylphenol Phenol, 4-dodecyl- p-Dodecylphenol Phenol, p-dodecyl- 4-n-dodecylphenol

Physical Properties

Physical Description
Straw-colored liquid with a phenolic odor
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
11
H-bond acceptors
1
H-bond donors
1
Molar refractivity
83.65
TPSA
20.23

LogP / Solubility

WLOGP
5.86
MLOGP
5.16
XLogP3
7.5
Consensus LogP
6.17
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.55
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.16

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant Health Hazard Environmental Hazard
Signal
Danger Warning
GHS Hazard Statements
H314 (73.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (26.5%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (55.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (20.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H360 (52.9%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P321, P332+P317, P337+P317, P362+P364, P363, P391, P405, and P501 P273, P391, and P501

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