1H-Cyclopropa[a]naphthalene,1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)- supplier

Name
(+)-CALARENE
EINECS 241-359-5
CAS No. 17334-55-3
Density 0.94g/cm³
Solubility
Melting Point
Formula C₁₅H₂₄
Boiling Point 259.9 °C at 760 mmHg
Molecular Weight 204.356
Flash Point 99.3 °C
Transport Information
Appearance
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Cyclopropa[a]naphthalene,1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)-(+)-(8CI);1H-Cyclopropa[a]naphthalene,1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, [1aR-(1aa,7a,7aa,7ba)]-;(+)-1(10)-Aristolene;(+)-D1(10)-Aristolene;1(10)-Aristolene, (+)-;Calarene;
PSA 0.00000
LogP 4.41500

1H-Cyclopropa[a]naphthalene,1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)- Specification

The 1H-Cyclopropa[a]naphthalene,1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)-, with CAS registry number 17334-55-3, has the systematic name of aristol-1(10)-ene. This chemical should be stored at the temperature of 2-8°C. When use this chemical, do not breathe vapour and avoid contact with skin and eyes. And the chemical formula of this chemical is C₁₅H₂₄.

Physical properties of 1H-Cyclopropa[a]naphthalene,1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)-: (1)ACD/LogP: 6.34; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.34; (4)ACD/LogD (pH 7.4): 6.34; (5)ACD/BCF (pH 5.5): 38478.23; (6)ACD/BCF (pH 7.4): 38478.23; (7)ACD/KOC (pH 5.5): 66631.63; (8)ACD/KOC (pH 7.4): 66631.63; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 64.99 cm³; (15)Molar Volume: 215.5 cm³; (16)Polarizability: 25.76×10^-24cm³; (17)Surface Tension: 32 dyne/cm; (18)Density: 0.94 g/cm³; (19)Flash Point: 99.3 °C; (20)Enthalpy of Vaporization: 47.75 kJ/mol; (21)Boiling Point: 259.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0204 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C\12=C\CCC(C/1(C3C(CC2)C3(C)C)C)C
(2)InChI: InChI=1/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3
(3)InChIKey: MBIPADCEHSKJDQ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7,10,12-13H,5-6,8-9H2,1-4H3
(5)Std. InChIKey: MBIPADCEHSKJDQ-UHFFFAOYSA-N

Product Name

(+)-CALARENE

1H-Cyclopropa[a]naphthalene,1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)- Specification

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