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Name |
4-Isopropyl-1-methyl-1,4-cyclohexadiene |
EINECS | 202-794-6 |
CAS No. | 99-85-4 | Density | 0.845 g/cm3 |
PSA | 0.00000 | LogP | 3.30890 |
Solubility | N/A | 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 | N/A | 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; |
Article Data | 97 |
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. |