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CAS 1745-81-9 2-Allylphenol molecular structure lightbox
CAS RN: 1745-81-9

2-Allylphenol

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260228 100g In stock Inquiry
Batchno.20260227 2.5kg In stock Inquiry
Batchno.20250807 25g In stock Inquiry
Batchno.20251204 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250821 100g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250228 10kg In stock Shanghai, Shandong Inquiry
Batchno.20250727 2.5kg In stock Shandong Inquiry
Batchno.20251215 25g In stock Shandong, Hebei Inquiry
Batchno.20250621 500g In stock Shanghai, Guangdong, Chongqing Inquiry
Batchno.20251013 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-076540
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 100g, 25g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1745-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 4 In Stock Shanghai Inquiry
25g ≥98% 3 In Stock Hong Kong Inquiry
500g ≥98% 0 Out of Stock Shenzhen Inquiry

1745-81-9 / 2-prop-2-enylphenol

Standard CAS: 1745-81-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1745-81-9
Multi CAS
No
Molecular Formula
C9H10O
Molecular Weight
134.170000
Exact Mass
134.073165
SMILES
C=CCC1=CC=CC=C1O
InChI
InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
InChIKey
QIRNGVVZBINFMX-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid Light brown liquid with an odor like phenol
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.01
TPSA
20.23

LogP / Solubility

WLOGP
2.12
MLOGP
1.86
XLogP3
2.7
Consensus LogP
2.23
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately 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)
-2.03

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)
Corrosive Acute Toxic Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301+H311 (63.6%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal] H301 (91.3%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (91.3%): Toxic in contact with skin [Danger Acute toxicity, dermal] H314 (99.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (69.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P262, P264, P264+P265, P270, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P391, P405, and P501

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