CAS No.3228-02-2,4-ISOPROPYL-3-METHYLPHENOL Suppliers,MSDS download

Products Categories

Pharmaceutical (105)
Organic Chemicals (31)
Others (20)
Reagent (6)
Materials (3)
Basic Inorganic Chemicals (2)
Plant Extract (2)
Synthetic Flavours & Fragrances (1)

Basic Information

Molecular Structure:
CAS No.:	3228-02-2
Name:	4-ISOPROPYL-3-METHYLPHENOL
Article Data:	47

Formula:	C₁₀H₁₄O
Molecular Weight:	150.221
Synonyms:	m-Cresol,4-isopropyl- (4CI);o-Cymen-5-ol (7CI,8CI);1-Hydroxy-3-methyl-4-isopropylbenzene;3-Methyl-4-(1-methylethyl)phenol;3-Methyl-4-isopropylphenol;4-Isopropyl-5-methylphenol;4-Isopropyl-m-cresol;5-Methyl-4-isopropylphenol;Biosol;Biosol (antibacterial);Frecide;NSC 62111;p-Thymol;
EINECS:	217-105-4
Density:	0.974 g/cm³
Melting Point:	111-114 °C(lit.)
Boiling Point:	233.8 °C at 760 mmHg
Flash Point:	104.1 °C
Solubility:	insoluble in water
Appearance:	White needle crystal
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
Transport Information:	UN 1759
PSA:	20.23000
LogP:	2.82400

Synthetic route

: 3228-01-1
3-methyl-2-isopropyl-phenol

A: 3228-02-2
3-Methyl-4-isopropylphenol

B: 89-83-8
thymol

Conditions

Conditions	Yield
With carbon disulfide; aluminium trichloride at 50 - 60℃;
With phosphorus pentoxide at 210 - 215℃; Erhitzen des Reaktionsprodukts mit konz. wss. Alkalilauge auf 220grad;

: 19177-04-9
1-isopropoxy-3-methylbenzene

A: 3228-02-2
3-Methyl-4-isopropylphenol

B: 89-83-8
thymol

Conditions

Conditions	Yield
Einleiten von BF3;
With aluminium trichloride
With phosphorus pentoxide at 130℃; Erhitzen mit konz. wss. Alkalilauge auf 220grad;

: 30061-94-0
6-tert-butyl-4-isopropyl-3-methylphenol

: 3228-02-2
3-Methyl-4-isopropylphenol

Conditions

Conditions	Yield
With Fuller-earth; benzene at 265℃;

: 187737-37-7
propene

: 108-39-4
3-methyl-phenol

A: 3228-02-2
3-Methyl-4-isopropylphenol

B: 89-83-8
thymol

Conditions

Conditions	Yield
With solid phosphoric acid/silica support titania at 250℃; under 12001.2 Torr; for 1h; Autoclave;
With Fuller's Earth at 230℃;
With phosphoric acid at 230℃;
With phosphorus pentoxide at 230℃;
With zinc(II) chloride at 230℃;

...Expand

: 540-54-5
1-Chloropropane

: 108-39-4
3-methyl-phenol

A: 3228-02-2
3-Methyl-4-isopropylphenol

B: 89-83-8
thymol

Conditions

Conditions	Yield
With zinc(II) oxide at 230℃;
With zinc(II) oxide at 230℃;

...Expand

: 75-29-6
isopropyl chloride

: 108-39-4
3-methyl-phenol

A: 3228-02-2
3-Methyl-4-isopropylphenol

B: 89-83-8
thymol

Conditions

Conditions	Yield
With aluminium trichloride; 1,2-dichloro-ethane at -10 - 0℃;

...Expand

: 108-20-3
di-isopropyl ether

: 108-39-4
3-methyl-phenol

A: 3228-02-2
3-Methyl-4-isopropylphenol

B: 89-83-8
thymol

Conditions

Conditions	Yield
With Fuller's Earth at 140 - 150℃;
With Fuller's Earth at 230 - 250℃;
at 350℃;

...Expand

: 111-43-3
Dipropyl ether

: 108-39-4
3-methyl-phenol

A: 3228-02-2
3-Methyl-4-isopropylphenol

B: 89-83-8
thymol

Conditions

Conditions	Yield
With Fuller's Earth at 140 - 150℃;
With Fuller's Earth at 230 - 250℃;

...Expand

: 108-39-4
3-methyl-phenol

: 67-63-0
isopropyl alcohol

: 3228-02-2
3-Methyl-4-isopropylphenol

Conditions

Conditions	Yield
With sulfuric acid at 80℃;
With amberlyst-15; carbon dioxide; hydrogen; platinum at 200℃; under 75006 Torr; for 8h; Friedel-Craft alkylation;	30 % Chromat.

: 108-39-4
3-methyl-phenol

: 67-63-0
isopropyl alcohol

A: 3228-02-2
3-Methyl-4-isopropylphenol

B: 89-83-8
thymol

Conditions

Conditions	Yield
With tungstophosphoric acid at 160℃;
With phosphoric acid at 150℃;
With aluminium trichloride at 125℃;

...Expand

Raw Materials

7664-38-2

108-21-4

111-43-3

7637-07-2

67-63-0

64-19-7

4534-10-5

88-60-8

Downstream Products

95-48-7

89-83-8

101267-52-1

103039-12-9

3228-03-3

Total:118 Page 1 of 4 1 2 3 4 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 3228-02-2

Specification

The IUPAC name of 4-Isopropyl-3-methylphenol is 3-methyl-4-propan-2-ylphenol. With the CAS registry number 3228-02-2, it is also named as 1-Hydroxy-3-methyl-4-isopropylbenzene; o-Cymen-5y-ol. The product's categories are organic building blocks, oxygen compounds and phenols. It is white needle crystal which is used as preservative and fungicides in cream cosmetic. Solubility at room temperature are approximately: 36% in ethanol, 65% in methanol, 50% in isopropyl alcohol, 32% in butanol, acetone in 65%, and insoluble in water.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.28; (5)ACD/BCF (pH 5.5): 183.42; (6)ACD/BCF (pH 7.4): 183.22; (7)ACD/KOC (pH 5.5): 1451.38; (8)ACD/KOC (pH 7.4): 1449.8; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.523; (13)Molar Refractivity: 47.14 cm³; (14)Molar Volume: 154.2 cm³; (15)Polarizability: 18.68×10^-24 cm³; (16)Surface Tension: 34.9 dyne/cm; (17)Enthalpy of Vaporization: 48.97 kJ/mol; (18)Vapour Pressure: 0.0358 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 9; (21)Exact Mass: 150.104465; (22)MonoIsotopic Mass: 150.104465; (23)Topological Polar Surface Area: 20.2; (24)Heavy Atom Count: 11

Uses of 4-Isopropyl-3-methylphenol: It can react with 2-chloro-2-methyl-propane to get 2-tert-Butyl-4-isopropyl-5-methyl-phenol. This reaction is at temperature of 80 - 85 °C. The reaction time is 24 hours. The yield is 90%.

2. It also can react with formaldehyde to obtain 2-hydroxymethyl-4-isopropyl-5-methyl-phenol. This reaction needs reagent NaOH and solvent H₂O at Ambient temperature. The reaction time is 1.5 hours. The yield is 45%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES: Oc1cc(c(cc1)C(C)C)C;
2. InChI: InChI=1/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3.

The following is the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	6280mg/kg (6280mg/kg)	PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Osaka Shiritsu Daigaku Igaku Zasshi. Journal of the Osaka City Medical Center. Vol. 5, Pg. 111, 1956.
mouse	LD50	subcutaneous	184mg/kg (184mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Osaka Shiritsu Daigaku Igaku Zasshi. Journal of the Osaka City Medical Center. Vol. 5, Pg. 111, 1956.

Premium Related Products

4-Isopropyl-3-methylphenol