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cis-3-Hexenyl benzoate has a green, balsamic odor.

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  • 25152-85-6 Structure
  • Basic information

    1. Product Name: cis-3-Hexenyl benzoate
    2. Synonyms: BENZOIC ACID CIS-3-HEXEN-1-YL ESTER;BENZOIC ACID:3-HEXENYL ESTER, Z;CIS-3-HEXEN-1-YL BENZOATE;CIS-3-HEXENYL BENZOATE;C3 HEXENYL BENZOATE;HEXENYL BENZOATE, CIS-3-;HEXENYL-CIS-3-BENZOATE;FEMA 3688
    3. CAS NO:25152-85-6
    4. Molecular Formula: C13H16O2
    5. Molecular Weight: 204.26
    6. EINECS: 246-669-4
    7. Product Categories: Alphabetical Listings;Flavors and Fragrances;G-H
    8. Mol File: 25152-85-6.mol
    9. Article Data: 4
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 105 °C1 mm Hg(lit.)
    3. Flash Point: >230 °F
    4. Appearance: Colorless to pale yellow liquid
    5. Density: 0.999 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 0.00203mmHg at 25°C
    7. Refractive Index: n20/D 1.508(lit.)
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. Water Solubility: 40.3mg/L at 24℃
    11. CAS DataBase Reference: cis-3-Hexenyl benzoate(CAS DataBase Reference)
    12. NIST Chemistry Reference: cis-3-Hexenyl benzoate(25152-85-6)
    13. EPA Substance Registry System: cis-3-Hexenyl benzoate(25152-85-6)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. WGK Germany: 2
    5. RTECS: DH1442500
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 25152-85-6(Hazardous Substances Data)

25152-85-6 Usage

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.

Taste threshold values

Taste characteristics at 10 ppm: fatty, floral, green, fruity and spicy with woody nuances.

Flammability and Explosibility

Nonflammable

Check Digit Verification of cas no

The CAS Registry Mumber 25152-85-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,5,1,5 and 2 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 25152-85:
(7*2)+(6*5)+(5*1)+(4*5)+(3*2)+(2*8)+(1*5)=96
96 % 10 = 6
So 25152-85-6 is a valid CAS Registry Number.
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-

25152-85-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name cis-3-Hexenyl benzoate

1.2 Other means of identification

Product number -
Other names Leaf acid ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:25152-85-6 SDS

25152-85-6Relevant articles and documents

Regioselective Wacker-Type Oxidation of Internal Olefins in tBuOH Using Oxygen as the Sole Oxidant and tBuONO as the Organic Redox Cocatalyst

Huang, Qing,Li, Ya-Wei,Ning, Xiao-Shan,Jiang, Guo-Qing,Zhang, Xiao-Wei,Qu, Jian-Ping,Kang, Yan-Biao

supporting information, p. 965 - 969 (2020/02/15)

A regioselective Wacker-Tsuji oxidation of internal olefins in tBuOH has been developed using oxygen as the terminal oxidant and tert-butyl nitrite as the simple organic redox cocatalyst without the involvement of hazardous cocatalysts or harsh reaction conditions. A series of internal olefins bearing various functional groups can be oxidized to the corresponding substituted ketones in generally good yields with high regioselectivities.

Benzoyl peroxide-imidazole: A novel and efficient reagent for the mild conversion of alcohols or phenols into benzoates

Nowrouzi, Najmeh,Alizadeh, Seyedeh Zahra

, p. 2412 - 2414 (2013/06/26)

A very mild, one-pot, and expedient protocol for the conversion of alcohols and phenols into their corresponding benzoates using imidazole and benzoyl peroxide as a novel reagent is described.

Wacker-type oxidation of internal alkenes using Pd(Quinox) and TBHP

Deluca, Ryan J.,Edwards, Jennifer L.,Steffens, Laura D.,Michel, Brian W.,Qiao, Xiaoxiao,Zhu, Chunyin,Cook, Silas P.,Sigman, Matthew S.

, p. 1682 - 1686 (2013/04/10)

The Pd-catalyzed TBHP-mediated Wacker-type oxidation of internal alkenes is reported. The reaction uses 2-(4,5-dihydro-2-oxazolyl)quinoline (Quinox) as ligand and TBHP(aq) as oxidant to deliver single ketone constitutional isomer products in a predictable fashion from electronically biased olefins. This methodology is showcased through its application on an advanced intermediate in the total synthesis of the antimalarial drug artemisinin.

Consequences of Affinity in Heterogeneous Catalytic Reactions: Highly Chemoselective Hydrogenolysis of Iodoarenes

Ambroise, Yves,Mioskowski, Charles,Djega-Mariadassou, Gerald,Rousseau, Bernard

, p. 7183 - 7186 (2007/10/03)

The catalytic hydrodeiodination reaction using molecular hydrogen and Pd/C has been revisited. It is shown, for the first time, that the chemoselectivity of this reaction is controlled by the high affinity of the iodinated compound for the catalyst. This reaction is compatible with most easily reducible functional groups (nitro, aldehyde, olefin, etc.). Using this reaction, the first general method for tritium labeling of 3-(trifluoromethyl)-3-phenyldiazirine is described.

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