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Trans-3-Hexenoic acid 97%

CAT: 0286-H05790-01Size: 10 gDry Ice: NoHazardous: Yes
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CAT#:0286-H05790-01Size:10 g
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CAS Number
1577-18-0
UN Code
UN3265
Pictogram
05 - Corrosive
UDF Signal Word
Danger
MDL Number
MFCD00002786
Hazard Statement
H302 Harmful if swallowed; H314 Causes severe skin burns and eye damage; H332 Harmful if inhaled.
DOT Name
Corrosive Liquid, Acidic, Organic, N.O.S.
DOT Classification
Class 8
Packaging Group
PGII
Precautions
P264 Wash skin thoroughly after handling; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P302+P352 IF ON SKIN: wash with plenty of soap and water; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; 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; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

trans-3-Hexenoic acid

3-hexenoic acid is a hexenoic acid with the double bond at position 3. It has a role as a plant metabolite.

CAS Number1577-18-0
PubChem CID5282708
IUPAC Name(E)-hex-3-enoic acid
Molecular FormulaC6H10O2
Molecular Weight114.14
XLogP1.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity94
SMILES
CC/C=C/CC(=O)O
InChI
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+
InChIKey
XXHDAWYDNSXJQM-ONEGZZNKSA-N
Chemical Structure
2D Structure
2D structure of trans-3-Hexenoic acid
CAS: 1577-18-0
CID: 5282708
Formula: C6H10O2
MW: 114.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.14
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass114.068079557
Monoisotopic Mass114.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity94.7
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

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Alternative Products

CatalogName
HY-W010532-01Trans-3-Hexenoic acid
sc-229486CTrans-2-Hexenoic acid
sc-2675364-Hexenoic acid, cis + trans
AR-C08222-01Trans-2-Hexenoic Acid-Coenzyme A
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AR-H07571-01Cis-3-Hexenoic Acid
447899-01(E) -3-Hexenoic Acid
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FM157060-014-Methyl-3-hexenoic acid
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