1H-Indene-1,5(6H)-dione,2,3,7,7α-tetrahydro-7α-methyl-, (7αS)- supplier

Name
(S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H
EINECS
CAS No. 17553-86-5
Article Data52
CAS DataBase
Density 1.138 g/cm³
Solubility
Melting Point 57-64 °C
Formula C₁₀H₁₂O₂
Boiling Point 310.608 °C at 760 mmHg
Molecular Weight 164.204
Flash Point 116.192 °C
Transport Information UN 2811
Appearance white to beige crystalline powder
Safety 26-36/37
Risk Codes 22-36/37/38-43
Molecular Structure
Hazard Symbols Xn
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;
PSA 34.14000
LogP 1.64490

1H-Indene-1,5(6H)-dione,2,3,7,7α-tetrahydro-7α-methyl-, (7αS)- 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

Product Name

(S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H

1H-Indene-1,5(6H)-dione,2,3,7,7α-tetrahydro-7α-methyl-, (7αS)- Specification

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