CAS No.67111-66-4,(1R)-(+)-CAMPHANIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	67111-66-4
Name:	(1R)-(+)-CAMPHANIC ACID
Article Data:	7

Formula:	C₁₀H₁₄O₄
Molecular Weight:	198.219
Synonyms:	2-Oxabicyclo[2.2.1]heptane-1-carboxylicacid, 4,7,7-trimethyl-3-oxo-, (1R)-;(+)-Camphanic acid;(1R)-(+)-Camphanicacid;(1R)-Camphanic acid;(1R,4S)-(+)-Camphanic acid;(1R,4S)-Camphanic acid;
Density:	1.296 g/cm³
Melting Point:	200-202 °C(lit.)
Boiling Point:	355.5 °C at 760 mmHg
Flash Point:	142.1 °C
Appearance:	WHITE TO LIGHT BROWN POWDER, CRYSTALS,. CRYSTALLINE POWDER AND/OR CHUNKS
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	22-24/25-36-26
PSA:	63.60000
LogP:	1.19290

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Specification

The CAS register number of 2-Oxabicyclo[2.2.1]heptane-1-carboxylicacid, 4,7,7-trimethyl-3-oxo-, (1R,4S)- is 67111-66-4. It also can be called as 2-Oxabicyclo[2.2.1]heptane-1-carboxylicacid, 4,7,7-trimethyl-3-oxo-, (1R)- and the systematic name about this chemical is (1R,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid. The molecular formula about this chemical is C₁₀H₁₄O₄ and the molecular weight is 198.22. It belongs to the following product categorie which include Chiral Compound.

Physical properties about 2-Oxabicyclo[2.2.1]heptane-1-carboxylicacid, 4,7,7-trimethyl-3-oxo-, (1R,4S)- are: (1)ACD/LogP: 0.52; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 63.6 Å²; (10)Index of Refraction: 1.532; (11)Molar Refractivity: 47.39 cm³; (12)Molar Volume: 152.9 cm³; (13)Polarizability: 18.78x10^-24cm³; (14)Surface Tension: 50.6 dyne/cm; (15)Density: 1.296 g/cm³; (16)Flash Point: 142.1 °C; (17)Enthalpy of Vaporization: 65.99 kJ/mol; (18)Boiling Point: 355.5 °C at 760 mmHg; (19)Vapour Pressure: 5.19E-06 mmHg at 25 °C.

Uses of 2-Oxabicyclo[2.2.1]heptane-1-carboxylicacid, 4,7,7-trimethyl-3-oxo-, (1R,4S)-: it can be used to produce (1S)-4,7,7-trimethyl-3-oxo-2-oxa-norbornane-1-carboxylic acid methyl ester with methanol. This reaction will need reagent of sulphuric acid. The yield is about 91%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. If you want to use this chemical, wear suitable protective clothing. When you are using it, do not breathe dust and avoid contact with skin and eyes. 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: O=C(O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C
(2)InChI: InChI=1/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)/t9-,10-/m0/s1
(3)InChIKey: KPWKPGFLZGMMFX-UWVGGRQHBW
(4)Std. InChI: InChI=1S/C10H14O4/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H,11,12)/t9-,10-/m0/s1
(5)Std. InChIKey: KPWKPGFLZGMMFX-UWVGGRQHSA-N