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CAS No.: | 3121-70-8 |
---|---|
Name: | 1-NAPHTHYL BUTYRATE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C14H14O2 |
Molecular Weight: | 214.264 |
Synonyms: | Butyricacid, 1-naphthyl ester (6CI,7CI,8CI);1-Naphthol, butyrate (8CI);1-Naphthylbutyrate;Butanoic acid 1-naphthyl ester;NSC 97269;a-Naphthyl butyrate;a-Naphthyl n-butyrate; |
EINECS: | 221-500-7 |
Density: | 1.103 g/cm3 |
Melting Point: | 95.5-96.5 °C |
Boiling Point: | 320.3 °C at 760 mmHg |
Flash Point: | 117.2 °C |
Appearance: | clear yellow liquid |
Safety: | 23-24/25 |
PSA: | 26.30000 |
LogP: | 3.54530 |
The CAS register number of Butanoic acid,1-naphthalenyl ester is 3121-70-8. It also can be called as alpha-Naphthyl butyrate and the IUPAC name about this chemical is naphthalen-1-yl butanoate. The molecular formula about this chemical is C14H14O2 and the molecular weight is 214.26. It belongs to the Aromatic Esters. When you are using it, please do not breathe vapour and avoid contact with skin and eyes.
Physical properties about Butanoic acid,1-naphthalenyl ester are: (1)ACD/LogP: 3.85; (2)ACD/LogD (pH 5.5): 3.85; (3)ACD/LogD (pH 7.4): 3.85; (4)ACD/BCF (pH 5.5): 495.42; (5)ACD/BCF (pH 7.4): 495.42; (6)ACD/KOC (pH 5.5): 2955.75; (7)ACD/KOC (pH 7.4): 2955.75; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 64.7 cm3; (13)Molar Volume: 194.1 cm3; (14)Polarizability: 25.64x10-24cm3; (15)Surface Tension: 41.2 dyne/cm; (16)Flash Point: 117.2 °C; (17)Enthalpy of Vaporization: 56.19 kJ/mol; (18)Boiling Point: 320.3 °C at 760 mmHg; (19)Vapour Pressure: 0.000321 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc2cccc1ccccc12)CCC
(2)InChI: InChI=1/C14H14O2/c1-2-6-14(15)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3
(3)InChIKey: XIVJNRXPRQKFRZ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C14H14O2/c1-2-6-14(15)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3
(5)Std. InChIKey: XIVJNRXPRQKFRZ-UHFFFAOYSA-N