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Trans-2-Octen-1-al

CAT: 0286-O01390-01Size: 5 gDry Ice: NoHazardous: No
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CAS Number
2548-87-0
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00007011
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; 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; P302+P352 IF ON SKIN: wash with plenty of soap and water; 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

(E)-2-Octenal

(E)-oct-2-enal is the (E)-isomer of oct-2-enal. It has a role as a volatile oil component and an antifungal agent.

CAS Number2548-87-0
PubChem CID5283324
IUPAC Name(E)-oct-2-enal
Molecular FormulaC8H14O
Molecular Weight126.20
XLogP2.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity84
SMILES
CCCCC/C=C/C=O
InChI
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+
InChIKey
LVBXEMGDVWVTGY-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of (E)-2-Octenal
CAS: 2548-87-0
CID: 5283324
Formula: C8H14O
MW: 126.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.20
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass126.104465066
Monoisotopic Mass126.104465066
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity84.6
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
TAA40917-01Trans-2-Octen-1-ol
sc-487209Trans-3-Octen-2-ol
sc-251268Trans-2-Hexen-1-al
sc-253716Trans-1-Octen-1-ylboronic acid
OR1015248-01Trans, trans-2,4-Decadien-1-al
HY-W128533-012-Octen-1-ylsuccinic anhydride, mixture of cis and trans
sc-237140Trans-1-Octen-1-ylboronic acid pinacol ester
OR1077682Trans-2-Hexen-1-al Diethyl Acetal
TRC-D476210-2.5G3,7-Dimethyl-2-octen-1-ol (cis trans mixture)
sc-278857Cis-5-Octen-1-ol, 95%, remainder mainly trans-isomer

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