4-Isopropyl-1-methyl-1,4-cyclohexadiene supplier

Name
4-Isopropyl-1-methyl-1,4-cyclohexadiene
EINECS 202-794-6
CAS No. 99-85-4
Article Data97
CAS DataBase
Density 0.845 g/cm³
Solubility
Melting Point 60-61 °C
Formula C₁₀H₁₆
Boiling Point 183 °C at 760 mmHg
Molecular Weight 136.237
Flash Point 51.7 °C
Transport Information
Appearance colourless oily liquid
Safety 26-36
Risk Codes 10-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms p-Mentha-1,4-diene(8CI);1-Isopropyl-4-methyl-1,4-cyclohexadiene;1-Methyl-4-(1-methylethyl)-1,4-cyclohexadiene;1-Methyl-4-isopropyl-1,4-cyclohexadiene;Crithmene;Moslene;NSC 21448;g-Terpinen;g-Terpinene;p-Mentha-1,4-diene;
PSA 0.00000
LogP 3.30890

4-Isopropyl-1-methyl-1,4-cyclohexadiene Consensus Reports

p-MENTHA-1,4-DIENE(99-85-4) is reported in EPA TSCA Inventory.

4-Isopropyl-1-methyl-1,4-cyclohexadiene Specification

The p-Mentha-1,4-diene is an organic compound with the formula C₁₀H₁₆. The IUPAC name of this chemical is 1-methyl-4-propan-2-ylcyclohexa-1,4-diene. With the CAS registry number 99-85-4, it is also named as 1-Isopropyl-4-methyl-1,4-cyclohexadien. The product's categories are Tri-Terpenoids; Biochemistry; Monocyclic Monoterpenes; Terpenes. Besides, it is the spices which is mainly used in the preparation of artificial lemon and peppermint essential oil.

Physical properties about p-Mentha-1,4-diene are: (1)ACD/LogP: 4.36; (2)ACD/LogD (pH 5.5): 4.36; (3)ACD/LogD (pH 7.4): 4.36; (4)ACD/BCF (pH 5.5): 1208.49; (5)ACD/BCF (pH 7.4): 1208.49; (6)ACD/KOC (pH 5.5): 5595.9; (7)ACD/KOC (pH 7.4): 5595.9; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.475; (10)Molar Refractivity: 45.44 cm³; (11)Molar Volume: 161.1 cm³; (12)Polarizability: 18.01×10^-24cm³; (13)Surface Tension: 26.8 dyne/cm; (14)Density: 0.845 g/cm³; (15)Flash Point: 51.7 °C; (16)Enthalpy of Vaporization: 40.21 kJ/mol; (17)Boiling Point: 183 °C at 760 mmHg; (18)Vapour Pressure: 1.08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is flammable. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: C\1=C(/C)C/C=C(/C(C)C)C/1
(2)InChI: InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
(3)InChIKey: YKFLAYDHMOASIY-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
(5)Std. InChIKey: YKFLAYDHMOASIY-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	3650mg/kg (3650mg/kg)		Food and Cosmetics Toxicology. Vol. 14, Pg. 875, 1976.

Product Name

4-Isopropyl-1-methyl-1,4-cyclohexadiene

4-Isopropyl-1-methyl-1,4-cyclohexadiene Consensus Reports

4-Isopropyl-1-methyl-1,4-cyclohexadiene Specification

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