| Identification | More | [Name]
cis-3-Hexenyl benzoate | [CAS]
25152-85-6 | [Synonyms]
BENZOIC ACID:3-HEXENYL ESTER, Z
BENZOIC ACID CIS-3-HEXEN-1-YL ESTER
C3 HEXENYL BENZOATE
CIS-3-HEXEN-1-YL BENZOATE
CIS-3-HEXENYL BENZOATE
FEMA 3688
HEXENYL BENZOATE, CIS-3-
HEXENYL-CIS-3-BENZOATE
(Z)-3-HEXENYL BENZOATE
(3Z)-3-Hexenyl benzoate
(Z )-3-Hexen-1-yl benzoate
(Z)-3-Hexen-1-ol benzoate
3-hexenylester,(z)-benzoicaci
benzoate,(z)-3-hexen-1-o
benzoate,(Z)-3-Hexen-1-ol
Benzoic acid cis-3-hexenyl ester
cis-Hexenyl-3-benzoate
Hex-3(Z)-enyl benzoate
Benzoicacidcishexenylester
(Z)-hex-3-enyl benzoate | [EINECS(EC#)]
246-669-4 | [Molecular Formula]
C13H16O2 | [MDL Number]
MFCD00036526 | [Molecular Weight]
204.26 | [MOL File]
25152-85-6.mol |
| Chemical Properties | Back Directory | [Boiling point ]
105 °C1 mm Hg(lit.) | [density ]
0.999 g/mL at 25 °C(lit.)
| [vapor pressure ]
0.45Pa at 24℃ | [FEMA ]
3688 | [refractive index ]
n20/D 1.508(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Almost colorless | [Odor]
at 100.00 %. fresh green leafy floral orchid balsamic fatty | [biological source]
synthetic | [Odor Type]
green | [Water Solubility ]
40.3mg/L at 24℃ | [JECFA Number]
858 | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [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- | [InChIKey]
BCOXBEHFBZOJJZ-ARJAWSKDSA-N | [SMILES]
[H]\C(CC)=C(/[H])CCOC(=O)c1ccccc1 | [LogP]
4.5 at 25℃ | [CAS DataBase Reference]
25152-85-6(CAS DataBase Reference) | [NIST Chemistry Reference]
3-Hexen-1-ol, benzoate, (z)-(25152-85-6) | [EPA Substance Registry System]
25152-85-6(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
2
| [RTECS ]
DH1442500
| [TSCA ]
TSCA listed | [REACH Registrations]
Active | [HS Code ]
29163100 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Description]
cis-3-Hexenyl benzoate has a green, balsamic odor. | [Chemical Properties]
cis-3-Hexenyl benzoate has a green, herbaceous, woody odor.
| [Occurrence]
Reported found in bilberry, guava, lingonberry, black tea, green tea, jasmine tea, pouching tea, starfruit and
mastic gum leaf oil. | [Uses]
cis-3-Hexenyl benzoate, as a fragrance/aroma ingredient, is widely used as a fragrance or air freshener component in indoor environments, and is added to consumer products such as laundry detergents, cleaning products, scented candles, car care products and food flavourings [1]. | [Definition]
ChEBI: (3Z)-hex-3-en-1-yl benzoate is the benzoate ester of (3Z)-hex-3-en-1-ol. | [Taste threshold values]
Taste characteristics at 10 ppm: fatty, floral, green, fruity and spicy with woody nuances. | [Flammability and Explosibility]
Nonflammable | [Synthesis]
Cis-3-Hexenyl benzoate is prepared by estcrification of cis-3-Hcxcnol with Bcnzoic acid (or with BcrKoyl chloride). | [References]
[1]
Mairean, C.-P., Roman, C., Arsene, C., Bejan, I.-G., & Olariu, R.-I. (2024). Gas-Phase Kinetics of a Series of cis-3-Hexenyl Esters with OH Radicals under Simulated Atmospheric Conditions. The Journal of Physical Chemistry A, 128(30), 6274–6285. https://doi.org/10.1021/acs.jpca.4c03069 |
|
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Energy Chemical
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jiliang chemicals
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Maya High Purity Chemicals
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