Ethyl (E)-hex-2-enoate
- Iupac Name：ethyl (E)-hex-2-enoate
- CAS No.: 27829-72-7
- Molecular Weight：142.19600
- Modify Date.: 2022-11-07 10:53
- Introduction:
Ethyl (E)-hex-2-enoate, with the chemical formula C8H14O2 and CAS registry number 27829-72-7, is a compound known for its applications in various industries. This colorless liquid, also referred to as ethyl (2E)-hex-2-enoate, is characterized by its ester functional group. It is commonly used as a flavoring agent in food and beverages, providing a fruity and sweet aroma. Ethyl (E)-hex-2-enoate is also utilized in the production of perfumes and cosmetics, adding a pleasant scent to these products. Additionally, it serves as a solvent in various chemical processes. Overall, ethyl (E)-hex-2-enoate is a versatile compound with diverse applications in different fields.
View more+
1. Names and Identifiers
- 1.1 Name
- Ethyl (E)-hex-2-enoate
- 1.2 Synonyms
(E)-ETHYL 2-HEXENOATE 2-Hexenoic acid, ethyl ester, (2E)- 2-Hexenoic acid, ethyl ester, (E)- 2-Hexenoicacid,ethylester,(E)- Ethyl (2E)-2-hexenoate Ethyl (2E)-hex-2-enoate Ethyl (E)-2-hexenoate Ethyl trans-2-hexenoate ethylester,(e)-2-hexenoicaci ethylester,(E)-2-Hexenoicacid FEMA 3675 RARECHEM AL BI 0150 trans-2-Hexenoic Acid Ethyl Ester
- View all
- 1.3 CAS No.
- 27829-72-7
- 1.4 CID
- 5364778
- 1.5 EINECS(EC#)
- 216-296-1; 248-681-5
- 1.6 Molecular Formula
- C8H14O2 (isomer)
- 1.7 Inchi
- InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+
- 1.8 InChIkey
- SJRXWMQZUAOMRJ-VOTSOKGWSA-N
- 1.9 Canonical Smiles
- CCCC=CC(=O)OCC
- 1.10 Isomers Smiles
- CCC/C=C/C(=O)OCC
2. Properties
- 2.1 Density
- 0.95g/mLat 25°C(lit.)
- 2.1 Melting point
- −2°C(lit.)
- 2.1 Boiling point
- 123-126°C12mm Hg(lit.)
- 2.1 Refractive index
- n20/D 1.46(lit.)
- 2.1 Flash Point
- >230°F
- 2.1 Precise Quality
- 142.09900
- 2.1 PSA
- 26.30000
- 2.1 logP
- 1.90580
- 2.1 Appearance
- Colorless to Almost colorless clear liquid
- 2.2 Storage
- Ambient temperatures.
- 2.3 Chemical Properties
- Ethyl trans-2-hexenoate has a fruity, green, pulpy pineapple and apple odor.
3. Use and Manufacturing
- 3.1 GHS Classification
- Signal: Warning
GHS Hazard StatementsAggregated GHS information provided by 120 companies from 3 notifications to the ECHA C&L Inventory.
Reported as not meeting GHS hazard criteria by 99 of 120 companies. For more detailed information, please visit
ECHA C&L websiteOf the 2 notification(s) provided by 21 of 120 companies with hazard statement code(s):
H226 (100%): Flammable liquid and vapor [
Warning Flammable liquids]
Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
- View all
4. Safety and Handling
- 4.1 Hazard Codes
- C
- 4.1 Risk Statements
- R34
- 4.1 Safety Statements
- S26-S27-S28-S36/37/39-S36/39-S45
- 4.1 Packing Group
- III
- 4.1 Hazard Class
- 3
- 4.1 RIDADR
- UN 3265 8/PG 2
- 4.1 WGK Germany
- 2
- 4.1 RTECS
- MP7750000
- 4.1 Safety
-
Hazard Codes: 
C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-27-28-36/37/39-36/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3265 8/PG 2
WGK Germany: 2
RTECS: MP7750000
HazardClass: 3
PackingGroup: III
- 4.2 Specification
-
2-Hexenoic acid, ethylester, (2E)- , with CAS number of 27829-72-7, can be called 2-Hexenoic acid, ethyl ester, (E)-;2-Hexenoicacid,ethylester,(E)- ; Ethyl (2E)-2-hexenoate ; ethylester,(e)-2-hexenoicaci ; ethylester,(E)-2-Hexenoicacid ; rarechem al bi 0150 ; (e)-ethyl 2-hexenoate .
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | No symbol. |
| Signal word | No signal word. |
| Hazard statement(s) | none |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
27829-72-7Total: 33 Synthesis Route
8. Computational chemical data
- Molecular Weight: 142.19600g/mol
- Molecular Formula: C8H14O2
- Compound Is Canonicalized: True
- XLogP3-AA: 2.3
- Exact Mass: 142.099379685
- Monoisotopic Mass: 142.099379685
- Complexity: 116
- Rotatable Bond Count: 5
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 26.3
- Heavy Atom Count: 10
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICCAAABACIACDSCAAAAAAgAAAICAAAAEgABAAAIQACEAAAgAAIIYIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
9. Recommended Suppliers
-
- Products:API',s intermediates,fine chemicals and plant extracts.
- Tel:86-917-3909592
- Email:gksales1@gk-bio.com
FEMA 3675
- Purity:99%Packing: 200kg/bag FOB
- Price: 0 USD/kg
- Time: 2024/11/15
Inquire
-
- Products:carbomer940,uv627
- Tel:86-311-13315458396
- Email:may@hbmojin.com
-
- Products:Chemical products
- Tel:86-571-88938639
- Email:sales-gc@dycnchem.com
-
- Products:We ZERchem, facing global High-tech pharmaceutical raw materials, high value-added new type intermediates fine chemicals custom synthesis, scale-up production and rare chemicals trade.
- Tel:+86-571-82512721
- Email:sales@zeerrui.com
-
- Products:finechemicals, pharmaceutical materials and intermediates, pesticides, dyes andbiochemical reagents.
- Tel:86-571-56123425
- Email:purchase@kieraychem.com
10. Realated Product Infomation
skype
1YR
