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Trans-2-Hexenyl acetate 98%

CAT: 0286-H05845-01Size: 10 gDry Ice: NoHazardous: Yes
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CAT#:0286-H05845-01Size:10 g
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CAS Number
2497-18-9
UN Code
UN3272
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00009474
Hazard Statement
H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H335 May cause respiratory irritation.
DOT Name
Esters, N.O.S.
DOT Classification
Class 3
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P240 Ground/bond container and receiving equipment; P241 Use explosion-proof electrical/ventilating/lighting/[ ]/equipment; P242 Use only non-sparking tools; P280 Wear protective gloves/protective clothing/eye protection/face protection; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Chemical Information

2-Hexenyl acetate, (2E)-

(E)-hex-2-enyl acetate is an acetate ester resulting from the formal condensation of the hydroxy group of (E)-hex-2-en-1-ol with the carboxy group of acetic acid. It has a role as a flavouring agent and a plant metabolite. It is an acetate ester and an olefinic compound. It is functionally related to an (E)-hex-2-en-1-ol.

CAS Number2497-18-9
PubChem CID2733294
IUPAC Name[(E)-hex-2-enyl] acetate
Molecular FormulaC8H14O2
Molecular Weight142.20
XLogP2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity116
SMILES
CCC/C=C/COC(=O)C
InChI
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKey
HRHOWZHRCRZVCU-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of 2-Hexenyl acetate, (2E)-
CAS: 2497-18-9
CID: 2733294
Formula: C8H14O2
MW: 142.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight142.20
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass142.099379685
Monoisotopic Mass142.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes