| Identification | More | [Name]
METHYL 2-NONYNOATE | [CAS]
111-80-8 | [Synonyms]
2-NONYNOIC ACID METHYL ESTER
FEMA 2726
METHYL 2-NONYNOATE
METHYL NON-2-YNOATE
METHYL OCTINE CARBONATE
OCTYNECARBOXYLIC ACID METHYL ESTER
1-Octynecarboxylic acid, methyl ester
methyloctynecarbonate
METHYL 2-NONYNOATE 99+%
METHYL 2-NONYNOATE 99%
Methyl non-2-ynoate, 95+%
Methylnon-2-inoat
METHYLOCTINCARBONAT
2-Nonynoic acid=methyl | [EINECS(EC#)]
203-909-2 | [Molecular Formula]
C10H16O2 | [MDL Number]
MFCD00009547 | [Molecular Weight]
168.23 | [MOL File]
111-80-8.mol |
| Chemical Properties | Back Directory | [Boiling point ]
121 °C20 mm Hg(lit.)
| [density ]
0.915 g/mL at 25 °C(lit.)
| [vapor pressure ]
5.03-7.45Pa at 20-25℃ | [FEMA ]
2726 | [refractive index ]
n20/D 1.448(lit.)
| [Fp ]
213 °F
| [storage temp. ]
2-8°C | [form ]
clear liquid | [color ]
Colorless to Light yellow | [Odor]
at 1.00 % in dipropylene glycol. floral green violet leaf melon cucumber | [biological source]
synthetic | [Odor Type]
green | [JECFA Number]
1356 | [BRN ]
1759870 | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3 | [Contact allergens]
This perfumed molecule is related to methyl heptine carbonate. Cross-reactivity is frequent. | [InChIKey]
NTLJTUMJJWVCTL-UHFFFAOYSA-N | [SMILES]
CCCCCCC#CC(=O)OC | [LogP]
3.4 at 20℃ and pH7 | [CAS DataBase Reference]
111-80-8(CAS DataBase Reference) | [EPA Substance Registry System]
2-Nonynoic acid, methyl ester (111-80-8) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
2
| [RTECS ]
RB3450000
| [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29161900 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral | [Toxicity]
The acute oral LD50 in rats was reported as 2.22 g/kg (1.79-2.65 g/kg) (Moreno, 1973) and the acute dermal LD50 in rabbits as less than 5 g/kg (Moreno, 1973) |
| Hazard Information | Back Directory | [Description]
Methyl 2-nonynoate has a characteristic violet-like odor with a
sweet taste reminiscent of fresh peach, unripe banana, and cucumber
peel. May be prepared from 2-octene by way of 1-octyne and
octyne carboxylic acid. | [Chemical Properties]
Both methyl 2-
nonynoate and methyl 2-octynoate have a triple bond and are liquids with a fatty,
violet-leaf-like odor.They are used in perfume compositions. | [Chemical Properties]
Methyl 2-nonynoate has a characteristic violet-like odor and a sweet taste reminiscent of fresh peach, unripe banana
and cucumber peel. | [Occurrence]
Has apparently not been reported to occur in nature | [Uses]
METHYL 2-NONYNOATE is used as ester-based synthetic flavorings, as specified in GB 2760-1996, are permitted food flavorings, primarily used in the formulation of flavorings such as green banana, cucumber, peach, lychee, longan, and melon. They possess a green floral aroma and can be combined with other flavorings in flavorings such as gardenia, tuberose, violet, osmanthus, and rose. They are also used in acacia compound, orchid, and other formulations containing ionones to enhance aroma and provide top notes. In trace amounts, they are used in food flavorings to imitate the aromas of peach, banana, lychee, longan, cucumber, melon, currant, and berry flavors. | [Definition]
ChEBI: Methyl non-2-ynoate is a ynoate ester. | [Preparation]
From 2-octene by way of 1-octyne and octyne carboxylic acid. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 54, p. 1831, 1989 DOI: 10.1021/jo00269a017
Tetrahedron Letters, 24, p. 5181, 1983 DOI: 10.1016/S0040-4039(00)88391-4 |
|
|