Name | Methyl 2-nonynoate |
Synonyms | FEMA 2726 Methyl 2-nonynoate METHYL 2-NONYNOATE METHYL NON-2-YNOATE methyloctynecarbonate METHYL-2-NONYNOATE(SG) METHYL OCTINE CARBONATE 1-Octynecarboxylic acid, methyl ester |
CAS | 111-80-8 |
EINECS | 203-909-2 |
InChI | InChI=1/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3 |
Molecular Formula | C10H16O2 |
Molar Mass | 168.23 |
Density | 0.932g/cm3 |
Boling Point | 233.1°C at 760 mmHg |
Flash Point | 100.6°C |
Vapor Presure | 0.0568mmHg at 25°C |
Storage Condition | Room Temprature |
Refractive Index | 1.446 |
MDL | MFCD00009547 |
Physical and Chemical Properties | Chemical properties colorless to yellowish oily liquid. Boiling point 220 ℃, relative density 0.913-0.924, refractive index 1.448-1.458, flash point 99 ℃, soluble in 2 volumes of 80% ethanol, also soluble in oily spices, with sharp fragrance, violet leaves and shy pattern aroma after dilution. It has a pleasant taste of green fruits and vegetables, like immature bananas, fresh peaches and cucumber skins. |
Use | Use 1, it has the effect of blue flowers, can be used with other spices for gardenia, tuberose, Violet, osmanthus, Rose and other flavors. It is also used in Acacia compound, suxinlan and other formulations containing ionone to provide aroma and top flavor. In edible spices in trace amounts used to mimic the peach, banana, litchi, longan, cucumber, melon, currant and Berry type. 2, GB 2760-1996 for the permitted use of edible spices. Mainly used in the preparation of green banana, cucumber, peach, litchi, longan, melon flavor. 3, ester synthetic spices. |
Hazard Symbols | Xi - Irritant |
Risk Codes | R36/38 - Irritating to eyes and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
Raw Materials | TRANS-2-OCTENE 1-Octyne Zinc, chloro-1-octynyl- Benzene, (2-nonynylthio)- 2-NONYNOIC ACID Methanol Iodomethane Methyl chloroformate |
Downstream Products | 7,9-Hexadecadiyne |
FEMA | 2726 | METHYL 2-NONYNOATE |
refractive index | n20/D 1.448(lit.) |
flash point | 213 °F |
storage conditions | 2-8°C |
JECFA Number | 1356 |
BRN | 1759870 |
EPA chemical information | 2-Nonynoic acid, methyl ester (111-80-8) |
WGK Germany | 2 |
RTECS number | RB3450000 |
TSCA | Yes |
customs 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) |
Toxicity
GRAS(FEMA).
use limited
FEMA(mg/kg): soft drink 0.69; Cold drink 0.28; Candy 0.61; Baked food 2.2; Pudding 0.02~0.12; Seasoning 10.
Moderate limit (FDA & sect;172.515,2000).
production method
It is made from 2-octene through 1-octyne to octyne carboxylic acid, and then esterified with methanol.