CAS No.40724-67-2,(S)-(+)-KETOPINIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40724-67-2
Name:	(S)-(+)-KETOPINIC ACID
Article Data:	19

Formula:	C₁₀H₁₄O₃
Molecular Weight:	182.219
Synonyms:	Bicyclo[2.2.1]heptane-1-carboxylicacid, 7,7-dimethyl-2-oxo-, (1S)-;(+)-Ketopic acid;(+)-Ketopinic acid;(1S)-Ketopinic acid;(S)-(+)-Ketopinic acid;
Density:	1.238 g/cm³
Melting Point:	237-239 ºC
Boiling Point:	313.3 °C at 760 mmHg
Flash Point:	157.5 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	54.37000
LogP:	1.46640

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Specification

The systematic name of (1S)-(+)-Ketopinic acid is (1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid. With the CAS registry number 40724-67-2, it is also named as Bicyclo[2.2.1]heptane-1-carboxylic acid, 7,7-dimethyl-2-oxo-, (1S,4R)-. The product's categories are Chiral Reagents; Asymmetric Synthesis; Bicyclic Monoterpenes; Biochemistry; Synthetic Organic Chemistry; Terpenes. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 54.37 Å²; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 45.79 cm³; (13)Molar Volume: 147.1 cm³; (14)Polarizability: 18.15×10^-24 cm³; (15)Surface Tension: 49 dyne/cm; (16)Density: 1.238 g/cm³; (17)Flash Point: 157.5 °C; (18)Enthalpy of Vaporization: 60.96 kJ/mol; (19)Boiling Point: 313.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000109 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:CC2(C)C1CC(=O)[C@@]2(CC1)C(O)=O
2. InChI:InChI=1/C10H14O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6H,3-5H2,1-2H3,(H,12,13)/t6?,10-/m0/s1