Products Categories
| CAS No.: | 72200-74-9 |
|---|---|
| Name: | hex-3-enyl benzoate |
| Article Data: | 3 |
| Molecular Structure: | |
|
|
|
| Formula: | C13H16O2 |
| Molecular Weight: | 204.269 |
| Synonyms: | 3-Hexen-1-ol,benzoate (9CI);3-Hexenyl benzoate; |
| EINECS: | 276-454-0 |
| Density: | 1.003 g/cm3 |
| Boiling Point: | 290.8 °C at 760 mmHg |
| Flash Point: | 124.6 °C |
| PSA: | 26.30000 |
| LogP: | 3.19970 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- Total:4 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The 3-Hexen-1-ol,1-benzoate is an organic compound with the formula C13H16O2. The IUPAC name of this chemical is [(E)-hex-3-enyl] benzoate. With the CAS registry number 72200-74-9, it is also named as hex-3-enyl benzoate.
Physical properties about 3-Hexen-1-ol,1-benzoate are: (1)ACD/LogP: 4.53; (2)ACD/LogD (pH 5.5): 4.53; (3)ACD/LogD (pH 7.4): 4.53; (4)ACD/BCF (pH 5.5): 1623.53; (5)ACD/BCF (pH 7.4): 1623.53; (6)ACD/KOC (pH 5.5): 6912.66; (7)ACD/KOC (pH 7.4): 6912.66; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.513; (12)Molar Refractivity: 61.24 cm3; (13)Molar Volume: 203.4 cm3; (14)Polarizability: 24.28×10-24cm3; (15)Surface Tension: 35.9 dyne/cm; (16)Density: 1.003 g/cm3; (17)Flash Point: 124.6 °C; (18)Enthalpy of Vaporization: 53.02 kJ/mol; (19)Boiling Point: 290.8 °C at 760 mmHg; (20)Vapour Pressure: 0.00203 mmHg at 25°C.
Preparation of 3-Hexen-1-ol,1-benzoate: this chemical can be prepared by 1-(4-chloro-phenyl)-2-nitro-propan-1-one. This reaction will need reagents H2, Et3N, [2-I-4-(3-CF3-3H-diazirin-3-yl)phenyl]methanol, catalyst Pd/C and solvent methanol. The reaction time is 10 min with reaction temperature of 20 °C. The yield is about 90%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC/C=C/CC)c1ccccc1
(2)InChI: InChI=1/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3/b4-3+
(3)InChIKey: BCOXBEHFBZOJJZ-ONEGZZNKBO
(4)Std. InChI: InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3/b4-3+
(5)Std. InChIKey: BCOXBEHFBZOJJZ-ONEGZZNKSA-N