CAS No.7705-14-8,DIPENTENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7705-14-8
Name:	DIPENTENE
Article Data:	2

Formula:	C₁₀H₁₆
Molecular Weight:	136.237
Synonyms:	1,8-p-Mentadiene;4-(1-methylethenyl)-1-methyl-cyclohexene;(4S)-1-Methyl-4-(prop-1-en-2-yl)cyclohexene;
EINECS:	205-341-0
Density:	0.834 g/cm³
Melting Point:	-74 °C
Boiling Point:	175.44 °C at 760 mmHg
Flash Point:	42.778 °C
Solubility:	<1 g/100mL
Hazard Symbols:	Xi,N
Risk Codes:	10-38-43-50/53
Safety:	24-37-60-61
PSA:	0.00000
LogP:	3.30890

Total:19 Page 1 of 1 1

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Specification

The (+/-)-1-Methyl-4-(1-methylvinyl)cyclohexene with the CAS number 7705-14-8 is also called 1,8-p-Mentadiene. The IUPAC name is 1-methyl-4-prop-1-en-2-ylcyclohexene. Its molecular formula is C₁₀H₁₆. The EINECS registry number is 231-732-0. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the (+/-)-1-Methyl-4-(1-methylvinyl)cyclohexene are: (1)ACD/LogP: 4.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.552; (4)ACD/LogD (pH 7.4): 4.552; (5)ACD/BCF (pH 5.5): 1697.618; (6)ACD/BCF (pH 7.4): 1697.618; (7)ACD/KOC (pH 5.5): 7137.022; (8)ACD/KOC (pH 7.4): 7137.022; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 45.355 cm³; (15)Molar Volume: 163.264 cm³; (16)Polarizability: 17.98×10^-24cm³; (17)Surface Tension: 25.873 dyne/cm; (18)Enthalpy of Vaporization: 39.486 kJ/mol; (19)Vapour Pressure: 1.541 mmHg at 25°C.

Preparation: This chemical can be prepared by 1,2-epoxy-p-menth-8-ene. This reaction needs reagent Li and solvent tetrahydrofuran at heating condition. The reaction time is 82 hours. The yield is 86%.

Uses: This chemical can prepare (-)trans-Carvyl chloride. This reaction needs reagent t-butyl hypochlorite at Ambient temperature. The reaction time is 4.0 hours. The yield is 70%.

While using this chemical, you should be very cautious. This chemical is flammable. It is irritating to skin and may cause sensitization by skin contact. What's more, it is very toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should take the following instructions. Firstly, you should avoid this chemical contact with skin. Secondly, you should wear suitable gloves. Thirdly, this material and its container must be disposed of as hazardous waste. Findly, you should avoid it release to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1=CCC(CC1)C(=C)C
(2)InChI: InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
(3)InChIKey: XMGQYMWWDOXHJM-UHFFFAOYAC

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mammal (species unspecified)	LDLo	unreported	4600mg/kg (4600mg/kg)	Reviews of Environmental Contamination and Toxicology. Vol. 113, Pg. 47, 1990.
mouse	LD50	intravenous	1010uL/kg (1.01mL/kg)	Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 24, Pg. 700, 1989.
mouse	LD50	oral	5550uL/kg (5.55mL/kg)	Zhongguo Yaoxue Zazhi. Chinese Pharmacuetical Journal. Vol. 24, Pg. 700, 1989.
rat	LD50	oral	5300mg/kg (5300mg/kg)	Food and Cosmetics Toxicology. Vol. 12, Pg. 703, 1974.