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CAS No.: | 505-90-8 |
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Name: | CIS-4-DECENOIC ACID |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C10H18O2 |
Molecular Weight: | 170.252 |
Synonyms: | 4-Decenoicacid, (Z)- (8CI);4-cis-Decenoic acid;Obtusilic acid;cis-4-Decenoic acid; |
EINECS: | 208-024-5 |
Density: | 0.936g/cm3 |
Melting Point: | 18.83°C (estimate) |
Boiling Point: | 274.9 °C at 760 mmHg |
Flash Point: | 172.1 °C |
PSA: | 37.30000 |
LogP: | 2.98770 |
The CAS registry number of (Z)-4-Decenoic acid is 505-90-8. Its EINECS registry number is 208-024-5. The systematic name is (4Z)-dec-4-enoate. In addition, the molecular formula is C10H18O2 and the molecular weight is 170.25. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 3.64; (2)ACD/LogD (pH 5.5): 2.71; (3)ACD/LogD (pH 7.4): 0.91; (4)ACD/BCF (pH 5.5): 40.42; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 267.59; (7)ACD/KOC (pH 7.4): 4.21; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 37.3 Å2; (12)Flash Point: 172.1 °C; (13)Enthalpy of Vaporization: 56.5 kJ/mol; (14)Boiling Point: 274.9 °C at 760 mmHg; (15)Vapour Pressure: 0.00144 mmHg at 25°C.
Preparation of (Z)-4-Decenoic acid: it can be prepared by dec-4-ynoic acid. This reaction will need reagent H2 and catalyst nickel boride. The yield is about 98%.
Uses of (Z)-4-Decenoic acid: it can be used to get 5-hex-1-enyl-dihydro-furan-2-one. This reaction will need reagents NaOAc and O2, catalyst Pd(OAc)2 and solvent dimethylsulfoxide. The reaction time is 72 hours by heating at reaction temperature of 25 °C. And the reaction pressure is 760 Pa. The yield is about 81%.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)CC\C=C/CCCCC
(2)InChI: InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-7H,2-5,8-9H2,1H3,(H,11,12)/p-1/b7-6-
(3)InChIKey: XKZKQTCECFWKBN-NQZJEUMBBQ