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CAS 90-00-6 2-Ethylphenol molecular structure lightbox
CAS RN: 90-00-6

2-Ethylphenol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250623 1g / 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Chongqing, Guangdong, Hebei Inquiry
  • Product code: SSC-202263
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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: 500g
  • Available purity: ＞97%
  • 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 90-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞97% 0 Out of Stock Beijing Inquiry

90-00-6 / 2-ethylphenol

Standard CAS: 90-00-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
90-00-6
Multi CAS
Yes
Molecular Formula
C8H10O
Molecular Weight
122.160000
Exact Mass
122.073165
InChI
InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
InChIKey
IXQGCWUGDFDQMF-UHFFFAOYSA-N

Physical Properties

Melting Point
-18 °F (NTP, 1992) 18 °C
Boiling Point
400.14 °F at 760 mmHg (NTP, 1992) 204.5 °C
Density
1.037 (USCG, 1999) - Denser than water; will sink 1.0146 @ 25 °C
Physical Description
Ethylphenol is a yellow liquid. Freezing point -18 °C. Flash point 172 °F. Liquid Colorless liquid with an odor of phenol; [Merck Index] Yellow-brown liquid
Appearance
METASTABLE & STABLE CRYSTAL FORM COLORLESS LIQUID
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.48
TPSA
20.23

LogP / Solubility

WLOGP
1.95
MLOGP
1.71
XLogP3
2.5
Consensus LogP
2.05
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
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)
-2.08

Drug-likeness / Medicinal Chemistry

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

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