Name: FARNESYL ACETATE
SKU: 29548-30-9

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Basic Information

Molecular Structure:
CAS No.:	29548-30-9
Name:	FARNESYL ACETATE
Article Data:	4

Formula:	C₁₇H₂₈O₂
Molecular Weight:	264.408
Synonyms:	2,6,10-Dodecatrien-1-ol,3,7,11-trimethyl-, acetate (7CI,8CI,9CI);1-Acetoxy-3,7,11-trimethyl-2,6,10-dodecatriene;3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate;Farnesol acetate;Farnesylacetate;NSC 132958;
EINECS:	249-689-1
Density:	0.902 g/cm³
Melting Point:	63-64 °C (sublm)
Boiling Point:	347.3 °C at 760 mmHg
Flash Point:	103.4 °C
Safety:	24/25
PSA:	26.30000
LogP:	4.96870

Raw Materials

89637-63-8

79-20-9

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Specification

The Farnesyl acetate, with the cas registry number of 29548-30-9, has the systematic name of (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate. Its product categories are various, including Biochemistry; Terpenes; Terpenes (Others). And the molecular formula of the chemical is C₁₇H₂₈O₂.

The characteristics of this chemical are as following: (1)ACD/LogP: 6.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.14; (4)ACD/LogD (pH 7.4): 6.14; (5)ACD/BCF (pH 5.5): 27264.25; (6)ACD/BCF (pH 7.4): 27264.25; (7)ACD/KOC (pH 5.5): 52069.43; (8)ACD/KOC (pH 7.4): 52069.43; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 82.28 cm³; (15)Molar Volume: 292.8 cm³; (16)Polarizability: 32.61×10^-24cm³; (17)Surface Tension: 29.6 dyne/cm; (18)Density: 0.902 g/cm³; (19)Flash Point: 103.4 °C; (20)Enthalpy of Vaporization: 59.15 kJ/mol; (21)Boiling Point: 347.3 °C at 760 mmHg; (22)Vapour Pressure: 5.44E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC/C=C(/CC/C=C(\C)CC\C=C(/C)C)C)C
(2)InChI: InChI=1/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
(3)InChIKey: ZGIGZINMAOQWLX-NCZFFCEIBR