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1,1-Cyclohexanediacetic acid

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Name

1,1-Cyclohexanediacetic acid

EINECS 224-427-9
CAS No. 4355-11-7 Density 1.182g/cm3
PSA 74.60000 LogP 1.88630
Solubility N/A Melting Point 67-70 °C(lit.)
Formula C10H16O4 Boiling Point 405.7 °C at 760 mmHg
Molecular Weight 200.235 Flash Point 213.3 °C
Transport Information N/A Appearance White to off-white crystalline powder
Safety 22-24/25-37/39-26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4355-11-7 (1,1-Cyclohexanediacetic acid) Hazard Symbols IrritantXi
Synonyms

NSC169443;NSC 39839;1,1-Cyclohexane diacetic acid monoamide(CAM);

Article Data 15

1,1-Cyclohexanediacetic acid Synthetic route

60-29-7

diethyl ether

70197-61-4

Dimethyl 1,1-cyclohexanediacetate

124-41-4

sodium methylate

A

29800-56-4

spiro<3,5>nonan-2-one

B

4355-11-7

1,1-cyclohexanediacetic acid

C

861565-22-2

spiro[4.5]decane-2,3-dione

64-17-5

ethanol

1552-92-7

ethyl cyclohexylideneacetate

18852-51-2

sodium cyanoacetic acid ethyl ester

4355-11-7

1,1-cyclohexanediacetic acid

Conditions
ConditionsYield
Verseifen des Reaktionsprodukts mit Schwefelsaeure;
1552-92-7

ethyl cyclohexylideneacetate

18852-51-2

sodium cyanoacetic acid ethyl ester

4355-11-7

1,1-cyclohexanediacetic acid

Conditions
ConditionsYield
Hydrolyse des Reaktionsprodukts mit Schwefelsaeure;
und folgenden Hydrolyse des Reaktionsprodukts mit siedender 50prozentiger Schwefelsaeure;
42940-52-3

3-methyl-2,4-dioxo-3-aza-spiro[5.5]undecane-1,5-dicarbonitrile

4355-11-7

1,1-cyclohexanediacetic acid

Conditions
ConditionsYield
Hydrolysis;
4355-15-1

2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile

4355-11-7

1,1-cyclohexanediacetic acid

Conditions
ConditionsYield
With sulfuric acid
With hydrogenchloride; water; acetic acid for 84h; Heating;
4355-34-4

Cyclohexan-1.1-diacetonitril

4355-11-7

1,1-cyclohexanediacetic acid

Conditions
ConditionsYield
With hydrogenchloride
122821-50-5

2-hydroxyspiro<4,5>-dec-1-en-3-one

A

67950-95-2

1-carboxycyclohexylacetic acid

B

4355-11-7

1,1-cyclohexanediacetic acid

C

122800-90-2

(1-formylcyclohexyl)acetic acid

Conditions
ConditionsYield
With 18-crown-6 ether In toluene for 8h; Product distribution; Mechanism; Ambient temperature;
6627-87-8

2,4-dioxo-3-aza-spiro[5.5]undecane-1-carbonitrile

7664-93-9

sulfuric acid

4355-11-7

1,1-cyclohexanediacetic acid

Conditions
ConditionsYield
Hydrolysis;
7664-93-9

sulfuric acid

4355-15-1

2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile

4355-11-7

1,1-cyclohexanediacetic acid

7664-93-9

sulfuric acid

5-cyano-2-imino-4-oxo-3-aza-spiro[5.5]undecane-1-carboxylic acid amide

4355-11-7

1,1-cyclohexanediacetic acid

1,1-Cyclohexanediacetic acid Specification

The 1,1-Cyclohexanediacetic acid, with the CAS registry number 4355-11-7,is also known as Cyclohexanediacetic acid. It belongs to the product categories of Polymer Science;Miscellaneous Reagents.Its EINECS number is 224-427-9. This chemical's molecular formula is C10H16O4 and molecular weight is 200.23. What's more,Its systematic name is Cyclohexanediacetic acid.It is a white to off-white crystalline powder.The 1,1-Cyclohexanediacetic acid is irritating to eyes, respiratory system and skin.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. When you use it ,wear suitable protective clothing, gloves and eye/face protection ,do not breathe dust ,and avoid contact with skin and eyes.

Physical properties about Thioacetic acid are:
(1)ACD/LogP:  1.274; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  -0.41; (4)ACD/LogD (pH 7.4):  -3.37; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  2.43; (8)ACD/KOC (pH 7.4):  1.00; (9)#H bond acceptors:  4; (10)#H bond donors:  2; (11)#Freely Rotating Bonds:  4; (12)Index of Refraction:  1.495; (13)Molar Refractivity:  49.358 cm3; (14)Molar Volume:  169.28 cm3; (15)Surface Tension:  52.867000579834 dyne/cm; (16)Density:  1.183 g/cm3; (17)Flash Point:  213.34 °C; (18)Enthalpy of Vaporization:  72.132 kJ/mol; (19)Boiling Point:  405.737 °C at 760 mmHg; (20)Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O)CC1(CCCCC1)CC(=O)O;
(2)Std. InChI:InChI=1S/C10H16O4/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H,11,12)(H,13,14);
(3)Std. InChIKey:YQPCHPBGAALCRT-UHFFFAOYSA-N.

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