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Acetyl cedrene

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Name

Acetyl cedrene

EINECS N/A
CAS No. 80449-58-7 Density 1g/cm3
PSA 17.07000 LogP 4.37420
Solubility N/A Melting Point N/A
Formula C17H26O Boiling Point 348.4°Cat760mmHg
Molecular Weight 246.3877 Flash Point 156.3°C
Transport Information N/A Appearance N/A
Safety Mildly toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and fumes. Risk Codes N/A
Molecular Structure Molecular Structure of 80449-58-7 (Acetyl cedrene) Hazard Symbols N/A
Synonyms

N/A

 

Acetyl cedrene Consensus Reports

Flavors Industry Market Research (China)

Acetyl cedrene Specification

The Methyl cedryl ketone is an organic compound with the formula C17H26O. The systematic name of this chemical is 1-cedr-8-en-9-ylethanone. With the CAS registry number 32388-55-9, it is also named as 9-Acetyl-8-cedrene. The product's categories are Organics; Alphabetical Listings; Essential Oils Flavors and Fragrances; Flavors and Fragrances; M-N. Besides, it is used as ingredients of all kinds of green fragrant, woody, incense and moss green.

Physical properties about Methyl cedryl ketone are: (1)ACD/LogP: 5.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.17; (4)ACD/LogD (pH 7.4): 5.17; (5)ACD/BCF (pH 5.5): 4976.54; (6)ACD/BCF (pH 7.4): 4976.54; (7)ACD/KOC (pH 5.5): 15411.8; (8)ACD/KOC (pH 7.4): 15411.8; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 17.07 Å2; (12)Index of Refraction: 1.517; (13)Molar Refractivity: 74.14 cm3; (14)Molar Volume: 245 cm3; (15)Polarizability: 29.39×10-24cm3; (16)Surface Tension: 34.5 dyne/cm; (17)Density: 1 g/cm3; (18)Flash Point: 142.8 °C; (19)Enthalpy of Vaporization: 58.42 kJ/mol; (20)Boiling Point: 340.6 °C at 760 mmHg; (21)Vapour Pressure: 8.49E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)C=1C[C@]23C[C@@H](C=1C)C(C)(C)[C@@H]3CC[C@H]2C
(2)InChI: InChI=1/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1
(3)InChIKey: YBUIAJZFOGJGLJ-SWRJLBSHBC
(4)Std. InChI: InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1
(5)Std. InChIKey: YBUIAJZFOGJGLJ-SWRJLBSHSA-N

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