ChemicalBook CAS DataBase List 557-48-2

557-48-2

Name	FEMA 3377
CAS	557-48-2
EINECS(EC#)	209-178-6
Molecular Formula	C9H14O
MDL Number	MFCD00007009
Molecular Weight	138.21
MOL File	557-48-2.mol

Synonyms

CUCUMBER ALDEHYDE (E,Z)-2,6-NONADIEN-1-AL FEMA 3377 T2 C6 NONADIENAL TIMTEC-BB SBB006611 TRANS-2,CIS-6-NONADIEN-1-AL TRANS-2,CIS-6-NONADIENAL (2E,6Z)-2,6-Nonadienal (2E,6Z)-Nonadienal (E)-2,(Z)-6-nonadienal (E,Z)-2,6-nonadienal (e,z)-6-nonadienal (E,Z)-nona-2,6-dienal 2-(trans)-6-(cis)-Nonadienal 2,6-(E,Z)-Nonadienal 2-trans-6-cis-Nonadien-1-al 2-trans-6-cis-Nonadienal 6-Nonadienal,(E,Z)-2 Nona-2(E),6(Z)-dienal Nona-2,6(E,Z)-dienal

Chemical Properties

Appearance	clear colorless to pale yellow liquid
Boiling point	94-95 °C18 mm Hg(lit.)
density	0.86 g/mL at 25 °C(lit.)
FEMA	3377
refractive index	n20/D 1.474(lit.)
Fp	181 °F
storage temp.	Refrigerator
solubility	Chloroform (Sparingly), DMSO (Slightly), Methanol (Sparingly)
form	Oil
color	Sltly yellow liquid
Odor	powerful, violet-cucumber odor
biological source	synthetic
Odor Type	green
Sensitive	Air Sensitive
JECFA Number	1186
Major Application	cleaning products cosmetics flavors and fragrances food and beverages personal care
Cosmetics Ingredients Functions	PERFUMING FLAVOURING FRAGRANCE
InChI	1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3-,8-7+
InChIKey	HZYHMHHBBBSGHB-ODYTWBPASA-N
SMILES	[H]C(=O)C(\[H])=C(/[H])CC\C([H])=C(\[H])CC
LogP	2.60
CAS DataBase Reference	557-48-2(CAS DataBase Reference)
EPA Substance Registry System	2,6-Nonadienal, (2E,6Z)- (557-48-2)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H227-H315-H319-H335
Precautionary statements	P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501-P210e-P261-P280a-P305+P351+P338-P405-P501a
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S24/25:Avoid contact with skin and eyes . less more
RIDADR	NA 1993 / PGIII
WGK Germany	2
RTECS	RA5391800
TSCA	Yes
HS Code	2912.19.5000
Storage Class	10 - Combustible liquids
Safety Profile	Low toxicity by ingestion and skin contact. A moderate skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. less more
Toxicity	LD50 orl-rat: >5 g/kg FCTOD7 20,769,82 less more

Raw materials And Preparation Products

Hazard Information

Chemical Properties

Nona-2-trans-6-cis-dienal(557-48-2) has an odor reminiscent of green cucumber. The organoleptic character of this compound is attributed almost entirely to olfactory sensations. May be obtained from the steam distillation of fresh cucumber.

Occurrence

Reported as naturally occurring in violet leaves and flowers, in cucumber, sweet and sour cherry, guava, peas, tomato, potato, bell pepper, wheat bread, rye bread, milk, milk powder, fish and fish oil, roast chicken, guinea hen, beef, beer, coffee, tea, oats, mango, kelp, prickly pear, malt, dried bonito, endive, oysters, clam and mate.

Uses

trans-2,cis-6-Nonadienal is an unsaturated aldehyde that is responsible for the cucumber smell of Synura petersenii, a freshwater colonial flagellate. trans-2,cis-6-Nonadienal is also a common natural and drinking water contaminant.

Definition

ChEBI: (2E,6Z)-nona-2,6-dienal is an enal that is (2E,6Z)-nona-2,6-diene substituted by an oxo group at position 1. It has a role as a plant metabolite. It is an enal and a trans-2,3-unsaturated fatty aldehyde.

Preparation

From natural hexenol

Aroma threshold values

Detection: 0.01 ppb

Taste threshold values

Taste characteristics at 10 ppm: green, melon, cucumber-like with an aldehydic nuance

Synthesis Reference(s)

The Journal of Organic Chemistry, 38, p. 36, 1973 DOI: 10.1021/jo00941a008

General Description

Unialgal cultures of various Synurophycean species for the occurrence of trans-2,cis-6-nonadienal have been investigated.

Spectrum Detail

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