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6789-80-6

6789-80-6 Structure

6789-80-6 Structure
IdentificationBack Directory
[Name]

FEMA 2561
[CAS]

6789-80-6
[Synonyms]

FEMA 2561
(z)-3-hexena
(Z)-3-hexenal
3-(Z)-Hexenal
CIS-3-HEXENAL
3Z-Hexen-1-al
cis-hex-3-enal
hex-cis-3-enal
(Z)-Hex-3-enal
(3Z)-3-Hexenal
(Z)-3-hexen-1-al
CIS-3-HEXEN-1-AL
3-Hexenal, (3Z)-
(Z)-3-Hexene-1-al
cis-3-hexenal solution
cis-3-HEXEN-1-AL (NEAT)
3-hexenal,(Z)-3-hexenal
FEMA 2561, 50% in triacetin
cis-beta,gamma-hexylenicaldehyde
CIS-3-HEXENAL (50% IN TRIACETIN)
cis-beta,gamma-Hexylenic aldehyde
CIS-3-HEXENAL 50% SOLUTION IN TRIACETIN
cis-3-Hexenal DISCONTINUED. Please see H294815.
[EINECS(EC#)]

229-854-4
[Molecular Formula]

C6H10O
[MDL Number]

MFCD00065446
[MOL File]

6789-80-6.mol
[Molecular Weight]

98.14
Chemical PropertiesBack Directory
[Melting point ]

-78°C (estimate)
[Boiling point ]

20 °C0.2 mm Hg
[density ]

0.982 g/mL at 25 °C
[FEMA ]

2561 | CIS-3-HEXENAL
[refractive index ]

n20/D 1.44
[Fp ]

140 °F
[storage temp. ]

-20°C
[solubility ]

Chloroform, Methanol
[form ]

Oil
[color ]

Clear Colourless to Light Yellow
[Odor]

at 1.00 % in dipropylene glycol. green fatty grassy weedy fruity apple
[biological source]

synthetic
[Odor Type]

green
[JECFA Number]

316
[Stability:]

Light Sensitive
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-
[InChIKey]

GXANMBISFKBPEX-ARJAWSKDSA-N
[SMILES]

CC\C=C/CC=O
[LogP]

1.73
[EPA Substance Registry System]

3-Hexenal, (3Z)- (6789-80-6)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313
[Hazard Codes ]

Xn
[Risk Statements ]

22-36
[Safety Statements ]

26
[RIDADR ]

UN 1207 3/PG 3
[WGK Germany ]

1
[TSCA ]

TSCA listed
[HS Code ]

38220090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 3
Hazard InformationBack Directory
[Description]

This substance may be prepared by the oxidation of cis-3-hexenol, or by other standard reactions.
[Chemical Properties]

cis-3-Hexenal has a powerful, deep-green, leafy odor
[Occurrence]

Reported found in apple, cucumber, grape, banana, raspberry, fresh strawberries, black tea, tomato, guava, melon, strawberry, bell pepper, ginger, butter, beer, tea, passion fruit, potato chips, plum, rose apple, Malay apple, starfruit, lovage, kiwifruit, endive, nectarine, Chinese quince and red currants.
[Uses]

cis-3-Hexenal is an unsaturated aldehyde that has a green, leafy odour and flavour. It is a volatile flavour component of olive oil, tomatoes, cis-3-Hexenal is also a precursor of cis-2-Hexenol (H295005).
[Definition]

ChEBI: The cis-isomer of 3-hexenal.
[Preparation]

By oxidation of cis-3-hexenol or by other standard reactions.
[Aroma threshold values]

Detection: 0.25 ppb
Spectrum DetailBack Directory
[Spectrum Detail]

FEMA 2561(6789-80-6)MS
FEMA 2561(6789-80-6)IR1
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