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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
Solubility Melting Point 67-70 °C(lit.)
Formula C10H16O4 Boiling Point 405.7 °C at 760 mmHg
Molecular Weight 200.23 Flash Point 213.3 °C
Transport Information 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);

 

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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