Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Pentyl valerate |
EINECS | 218-528-7 |
CAS No. | 2173-56-0 | Density | 0.874 g/cm3 |
PSA | 26.30000 | LogP | 2.91000 |
Solubility | N/A | Melting Point |
-78.8°C |
Formula | C10H20O2 | Boiling Point | 206.8 °C at 760 mmHg |
Molecular Weight | 172.268 | Flash Point | 76.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 23-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Valericacid, pentyl ester (6CI,7CI,8CI);1-Pentyl n-valerate;Amyl valerate;Amylvalerianate;NSC 76414;Pentyl pentanoate;n-Pentyl pentanoate; |
Article Data | 83 |
The Pentanoicacid, pentyl ester, with the CAS registry number 2173-56-0, is also known as n-Pentyl valerate. Its EINECS registry number is 218-528-7. This chemical's molecular formula is C10H20O2 and molecular weight is 172.26. Its IUPAC name is called pentyl pentanoate. This chemical can be used as spice, solvents and intermediates in organic synthesis
Physical properties of Pentanoicacid, pentyl ester: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.9; (4)ACD/LogD (pH 7.4): 3.9; (5)ACD/BCF (pH 5.5): 538.64; (6)ACD/BCF (pH 7.4): 538.64; (7)ACD/KOC (pH 5.5): 3138.1; (8)ACD/KOC (pH 7.4): 3138.1; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.422; (13)Molar Refractivity: 50.15 cm3; (14)Molar Volume: 197 cm3; (15)Surface Tension: 28.3 dyne/cm; (16)Density: 0.874 g/cm3; (17)Flash Point: 76.5 °C; (18)Enthalpy of Vaporization: 44.3 kJ/mol; (19)Boiling Point: 206.8 °C at 760 mmHg; (20)Vapour Pressure: 0.233 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
You should not breathe its gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). Besides, you must avoid contacting it with your skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCOC(=O)CCCC
(2)InChI: InChI=1S/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3
(3)InChIKey: FGPPDYNPZTUNIU-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | oral | > 17260mg/kg (17260mg/kg) | SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
rat | LD50 | oral | > 35420mg/kg (35420mg/kg) | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |