CAS No.610-09-3,cis-Hexahydrophthalic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	610-09-3
Name:	cis-Hexahydrophthalic acid
Article Data:	49

Formula:	C₈H₁₂O₄
Molecular Weight:	172.181
Synonyms:	1,2-Cyclohexanedicarboxylicacid, cis- (8CI);NSC 57637;cis-1,2-Cyclohexanedicarboxylic acid;cis-Hexahydrophthalic acid;
EINECS:	216-872-2
Density:	1.314 g/cm³
Melting Point:	188-192 °C
Boiling Point:	384.1 °C at 760 mmHg
Flash Point:	200.3 °C
Solubility:	>2g/L(20 oC)
Appearance:	white crystals
Risk Codes:	36/37/38
Safety:	24/25
PSA:	74.60000
LogP:	0.96200

Synthetic route

: 34112-17-9
cyclohexane-1,2-dicarbonitrile

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride In water for 24h; Inert atmosphere; Reflux;	65%

: 28907-20-2
cis-cyclohexane-1,2-dicarbonitrile

A: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

B: 207518-98-7
cis-Cyclohexan-dicarbonsaeure-1,2-monoamid

C: cis-2-carbamoylcyclohexanecarboxylic acid

Conditions

Conditions	Yield
With Rhodococcus rhodochrous IFO 15564; water Yield given. Yields of byproduct given. Title compound not separated from byproducts;	A 26% B n/a C n/a
With Rhodococcus rhodochrous IFO 15564; water Yields of byproduct given;	A 24% B n/a C n/a

...Expand

: 85-44-9
phthalic anhydride

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With hydrogen; oxygen; acetic acid

: 635-08-5
cyclohex-1-ene-1,2-dicarboxylic acid

A: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

: 2305-32-0
trans-1,2-cyclohexanedicarboxylic acid

Conditions

Conditions	Yield
With sodium amalgam; sodium carbonate

: 50708-48-0
cyclohexane-1,1,2,2-tetracarboxylic acid tetraethyl ester

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With potassium hydroxide

: 25079-83-8, 38765-76-3, 38765-77-4
cyclohex-3-ene-1,2-dicarboxylic acid

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With acetic acid; platinum Hydrogenation;

: 13990-96-0, 13991-44-1, 90927-39-2
(1RS,2SR)-dimethyl 4-oxocyclohexane-1,2-dicarboxylate

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride; zinc

: 88-99-3
benzene-1,2-dicarboxylic acid

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid; platinum Hydrogenation;
With hydrogen; acetic acid; platinum
With ethanol; platinum Hydrogenation;

: 64-17-5
ethanol

: furan-2,3,5(4H)-trione pyridine (1:1)

: 7506-66-3
cis-hexahydrophthalimide

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
Behandeln bei Raumtemperatur;

...Expand

: 3806-82-4
cis-bicyclo[4.2.0]oct-7-ene

: 610-09-3
(1R,2S)-cyclohexane-1,2-dicarboxylic acid

Conditions

Conditions	Yield
With potassium permanganate; sodium periodate; potassium carbonate

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Specification

The cis-Hexahydrophthalic acid is an organic compound with the formula C₈H₁₂O₄. The IUPAC name of this chemical is (1S,2R)-cyclohexane-1,2-dicarboxylic acid. With the CAS registry number 610-09-3, it is also named as 1,2-Benzenedicarboxylic acid, hexahydro-. Besides, it is a white crystals, which should be stored in a cool and dry place.

Physical properties about cis-Hexahydrophthalic acid are: (1)ACD/LogP: 0.64; (2)ACD/LogD (pH 5.5): -0.8; (3)ACD/LogD (pH 7.4): -3.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.92; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 52.6 Å²; (12)Index of Refraction: 1.521; (13)Molar Refractivity: 39.88 cm³; (14)Molar Volume: 130.9 cm³; (15)Polarizability: 15.81×10^-24cm³; (16)Surface Tension: 57.8 dyne/cm; (17)Density: 1.314 g/cm³; (18)Flash Point: 200.3 °C; (19)Enthalpy of Vaporization: 69.46 kJ/mol; (20)Boiling Point: 384.1 °C at 760 mmHg; (21)Vapour Pressure: 5.78E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C1C(C(=O)O)CCCC1
(2)InChI: InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
(3)InChIKey: QSAWQNUELGIYBC-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
(5)Std. InChIKey: QSAWQNUELGIYBC-UHFFFAOYSA-N