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Home > Encyclopedia > 4-Isopropylphenol

4-Isopropylphenol

4-Isopropylphenol structure

4-Isopropylphenol 

structure
  • CAS No:

    99-89-8

  • Formula:

    C9H12O

  • Chemical Name:

    4-Isopropylphenol

  • Synonyms:

    Phenol,4-(1-methylethyl)-;Phenol,p-isopropyl-;4-(1-Methylethyl)phenol;p-Isopropylphenol;Australol;4-Isopropylphenol;p-Cumenol;NSC 1888;4-(Propan-2-yl)phenol

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

WHITE TO BEIGE CRYSTALLINE SOLID


Liquid|Solid


4-isopropylphenol is a member of the class of phenols that is phenol which is carrying an isopropyl group at position 4. It has a role as a flavouring agent. It derives from a hydride of a cumene.

4-Isopropylphenol Basic Attributes

136.19

136.19

1363564

202-798-8

9F59JOO816

1888

DTXSID5042299

29071900

Characteristics

20.2

2.90

White to beige-brown Crystalline Mass or Crystals

0.970 g/cm3 @ Temp: 15 °C

62.3 °C

230 °C

108°C

1.526

Slightly soluble in water, soluble in ethanol and ethyl ether.

Store at +2°C to +8°C.

0.05 mmHg

>1 (vs air)

Oral-Mouse LD50: 875 mg/kg

Combustible; gas stimulated by heat decomposition

Safety Information

III

8

UN 2430 8/PG 3

2

22-34-43-52/53

26-36/37/39-45-61

SL5950000

C

The warehouse is ventilated, low-temperature and dry; stored separately from oxidants.

Corrosive/Harmful

Corrosive to skin and cornea

Stable under normal temperatures and pressures.

P261-P280-P305 + P351 + P338-P310

H302-H314-H334

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 1428 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

moderately toxic

Drug Information

4-Isopropylphenol has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(4-propan-2-ylphenoxy)oxane-2-carboxylic acid.

4-isopropylphenol

4-Isopropylphenol Use and Manufacturing

Uses

4-Isopropylphenol is an Impurity of Propofol (P829750).


Intermediates

All other basic inorganic chemical manufacturing|Phenol, 4-(1-methylethyl)-: ACTIVE

Food additives -> Flavoring Agents

Flavoring Agents

Computed Properties

Molecular Weight:136.19
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:136.088815002
Monoisotopic Mass:136.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:90.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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