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CAS 4165-62-2 Phenol-d5 molecular structure lightbox
CAS RN: 4165-62-2

Phenol-d5

  • Product code: SSC-150039
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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: 1g
  • 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 4165-62-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

4165-62-2 / phenol

Standard CAS: 4165-62-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4165-62-2
Multi CAS
Yes
Molecular Formula
C6H6O
Molecular Weight
94.110000
Exact Mass
94.041865
InChI
InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKey
ISWSIDIOOBJBQZ-UHFFFAOYSA-N

Physical Properties

Melting Point
109 °F (NTP, 1992) 109 °F (NIOSH, 2024) 109 °F (EPA, 1998) 40.91 °C 40.9 °C
Boiling Point
360 °F at 760 mmHg (NTP, 1992) 359 °F at 760 mmHg (NIOSH, 2024) 359.1 °F at 760 mmHg (EPA, 1998) 181.75 °C @ 101.3 kPa 182 °C
Density
1.04 at 105.8 °F (USCG, 1999) - Denser than water; will sink 1.06 (NIOSH, 2024) - Denser than water; will sink 1.0722 at 68 °F (EPA, 1998) - Denser than water; will sink 1.071 g/cu cm Concn in "saturated" air: 0.046% by volume (0.77 g/cu m) (25 °C); Density of "saturated" air: 1.00104 (air=1); Conversion: 3.84 mg/cu m = 1 ppm; 1 mg/l = 0.26 mg/cu m
Physical Description
Phenol solution, [aqueous] is a white crystalline mass dissolved in an aqueous solution. Solution may be colorless to slightly pink in color with a distinctive phenol odor; sharp burning taste. Aqueous solution will be acidic and act as such. Toxic by ingestion, inhalation and skin absorption; strong irritant to tissues. Phenol, liquid appears as a colorless liquid when pure, otherwise pink or red. Combustible. Flash point 175 °F. Must be heated before ignition may occur easily. Vapors are heavier than air. Corrosive to skin but because of anesthetic qualities will numb rather than burn. Upon contact skin may turn white. May be lethal by skin absorption. Does not react with water. Stable in normal transportation. Reactive with various chemicals and may be corrosive to lead, aluminum and its alloys, certain plastics, and rubber. Freezing point about 105 °F. Density 8.9 lb / gal. Used to make plastics, adhesives and other chemicals. Phenol, molten is the white crystalline solid shipped at an elevated temperature to form a semi-solid. It is very hot and may cause burns from contact and also may cause the ignition of combustible materials. It is toxic by ingestion, and inhalation of its fumes, and skin absorption. It may also be very irritating to skin and eyes. It is used to make other chemicals. Phenol, solid appears as a solid melting at 110 °F. Colorless if pure, otherwise pink or red. Flash point 175 °F. Density 9.9 lb / gal. Vapors are heavier than air Corrosive to the skin (turning skin white) but because of its anesthetic quality numbs rather than burn. Lethal amounts can be absorbed through the skin. Used to make plastics and adhesives. Liquid; Other Solid; Pellets or Large Crystals, Liquid; Pellets or Large Crystals
Appearance
Colorless acicular crystals or white, crystalline mass White crystalline mass of hygroscopic, translucent needle-shaped crystals; pink or red when impurities are present; darkens on exposure to light White, crystalline mass that turns pink or red if not perfectly pure or if under influence of light. Colorless to light pink, interlaced, or separate, needleshaped crystals, or a ... light pink, crystalline mass Colorless to light pink crystalline solid. [Note: Phenol liquefies by mixing with about 8% water.]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
28.11
TPSA
20.23

LogP / Solubility

WLOGP
1.39
MLOGP
1.21
XLogP3
1.5
Consensus LogP
1.37
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
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)
-2.31

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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