| 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 | [Contact allergens]
This perfumed molecule is related to methyl heptine carbonate. Cross-reactivity is frequent. | [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 | [HS Code ]
29161900 | [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 | [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 |
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