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| CAS No.: | 2345-24-6 |
|---|---|
| Name: | NERYL ISOBUTYRATE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C14H24 O2 |
| Molecular Weight: | 224.343 |
| Synonyms: | Isobutyric acid,3,7-dimethyl-2,6-octadienyl ester, (Z)- (8CI); Propanoic acid, 2-methyl-, (2Z)-3,7-dimethyl-2,6-octadienylester (9CI); Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester,(Z)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, isobutyrate, (Z)- (8CI); Neryl2-methylpropanoate; Neryl isobutyrate |
| EINECS: | 219-061-1 |
| Density: | 0.895 g/mL at 25 °C(lit.) |
| Boiling Point: | 229 ºC(lit.) |
| Flash Point: | >230ºF |
| Safety: | Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors. |
| PSA: | 26.30000 |
| LogP: | 3.87830 |
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Chemistry
Chemistry informtion about Neryl Isobutyrate (CAS NO.2345-24-6) is:
IUPAC Name: [(2z)-3,7-Dimethylocta-2,6-Dienyl] 2-Methylpropanoate
Synonyms: Neryl Isobutyrate ; Fema 2775 ; (Z)-2-Methylpropanoicacid3,7-Dimethyl-2,6-Octadienylester ; 2-Methyl-,3,7-Dimethyl-2,6-Octadienylester,(Z)-Propanoicaci ; 2-Methyl-,3,7-Dimethyl-2,6-Octadienylester,(Z)-Propanoicacid ; 3,7-Dimethyl-2,6-Octadienylester,(Z)-Isobutyricaci ; Cis-3,7-Dimethyl-2,6-Octadien-1-Ylisobutyrate ; Nery Iso Butyrate
Product Categories: Alphabetical Listings ; Flavors and Fragrances ; M-N
MF: C14H24O2
MW: 224.34
EINECS: 219-061-1
Density: 0.896 g/cm3
Flash Point: 96.1 °C
Boiling Point: 295 °C at 760 mmHg
Vapour Pressure: 0.00157 mmHg at 25°C
Enthalpy of Vaporization: 53.47 kJ/mol
Refractive Index: n20/D 1.457(lit.)
FEMA: 2775
Following is the molecular structure of Neryl Isobutyrate (CAS NO.2345-24-6) is:
Production
Raw materials are Nerol → Isobutyric anhydride .
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 26, Pg. 391, 1988. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 26, Pg. 391, 1988. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
Safety Statements:
S2:Keep out of the reach of children.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: UA2468500
Specification
Neryl Isobutyrate (CAS NO.2345-24-6) is a colorless clear liquid.