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| CAS No.: | 4355-11-7 |
|---|---|
| Name: | 1,1-Cyclohexanediacetic acid |
| Article Data: | 15 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H16O4 |
| Molecular Weight: | 200.235 |
| Synonyms: | NSC169443;NSC 39839;1,1-Cyclohexane diacetic acid monoamide(CAM); |
| EINECS: | 224-427-9 |
| Density: | 1.182g/cm3 |
| Melting Point: | 67-70 °C(lit.) |
| Boiling Point: | 405.7 °C at 760 mmHg |
| Flash Point: | 213.3 °C |
| Appearance: | White to off-white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25-37/39-26-36 |
| PSA: | 74.60000 |
| LogP: | 1.88630 |
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- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| Hydrolysis; |
| Conditions | Yield |
|---|---|
| With sulfuric acid | |
| With hydrogenchloride; water; acetic acid for 84h; Heating; |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| Hydrolysis; |
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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.