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| CAS No.: | 17553-86-5 |
|---|---|
| Name: | (S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H |
| Article Data: | 52 |
| Molecular Structure: | |
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| Formula: | C10H12O2 |
| Molecular Weight: | 164.204 |
| Synonyms: | 1,5(6H)-Indandione,7,7α-dihydro-7αβ-methyl-,(+)- (8CI);1H-Indene-1,5(6H)-dione, 2,3,7,7α-tetrahydro-7α-methyl-, (S)-;(+)-5,6,7,8-Tetrahydro-8-methylindan-1,5-dione;(+)-Hajos-Parrish diketone;(+)-Hajos-Parrish ketone;(S)-(+)-2,3,7,7α-Tetrahydro-7α-methyl-1H-indene-1,5(6H)-dione;(S)-(+)-Hajos-Parrish ketone;(S)-Hajos dione;(S)-Hajos ketone;(S)-Hajos-Wiechertketone; |
| Density: | 1.138 g/cm3 |
| Melting Point: | 57-64 °C |
| Boiling Point: | 310.608 °C at 760 mmHg |
| Flash Point: | 116.192 °C |
| Appearance: | white to beige crystalline powder |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 22-36/37/38-43 |
| Safety: | 26-36/37 |
| Transport Information: | UN 2811 |
| PSA: | 34.14000 |
| LogP: | 1.64490 |
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Specification
The 1H-Indene-1, 5(6H)-dione, 2, 3, 7, 7α-tetrahydro-7α-methyl-, (7αS)-, with the CAS registry number 17553-86-5, is also known as 1H-Indene-1, 5(6H)-dione, 2, 3, 7, 7α-tetrahydro-7α-methyl-, (S)-. This chemical's molecular formula is C10H12O2 and molecular weight is 164.203. What's more, its IUPAC name is (7αS)-7α-Methyl-2, 3, 6, 7-tetrahydroindene-1, 5-dione.
Physical properties about 1H-Indene-1, 5(6H)-dione, 2, 3, 7, 7α-tetrahydro-7α-methyl-, (7αS)- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 23.436; (5)ACD/KOC (pH 7.4): 23.436; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 34.14 Å2; (10)Index of Refraction: 1.525; (11)Molar Refractivity: 44.181 cm3; (12)Molar Volume: 144.268 cm3; (13)Polarizability: 17.515×10-24 cm3; (14)Surface Tension: 39.635 dyne/cm; (15)Density: 1.138 g/cm3; (16)Flash Point: 116.192 °C; (17)Enthalpy of Vaporization: 55.146 kJ/mol; (18)Boiling Point: 310.608 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful if swallowed. Besides, it may cause sensitisation by skin contact. During using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: C[C@]12CCC(=O)C=C1CCC2=O
(2) InChI: InChI=1/C10H12O2/c1-10-5-4-8(11)6-7(10)2-3-9(10)12/h6H,2-5H2,1H3/t10-/m0/s1
(3) InChIKey: FNYAZSZTENLTRT-JTQLQIEIBZ