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Basic information
- CAS
78-35-3- Standard SMILES
C=CC(C)(CCC=C(C)C)OC(=O)C(C)C- InChIKey
JZIARAQCPRDGAC-UHFFFAOYSA-N- Molecular formula
- C14H24O2
- Average molar mass
- 224.344 g/mol
- Monoisotopic mass
- 224.17763001
Names & identifiers
- Preferred name
- Linalyl isobutyrate
- IUPAC
- 3,7-Dimethylocta-1,6-dien-3-yl 2-methylpropanoate
- English name
- LINALYL ISOBUTYRATE
- Molecular formula
- C14H24O2
- Molecular weight
- 224.34
Names & synonyms
FEMA 2640LINALYLISOBUTYRATLINALYL ISOBUTYRATElinaloolisobutyrateisobutyric acidesterLinalool, isobutyrateLinalyl 2-methylpropanoateLinalyl acetate isobutyrateisobutyricacid,linalylesterLinalyl Isobutyrate 6170501
Database identifiers
- CAS
78-35-3- PubChem CID
- 6532
- DTXSID
DTXSID6047490- ChEMBL
CHEMBL3185164- ChEBI
CHEBI:171776- UNII
- 8867Y4G46L
- EC Number
- 201-108-2
- Nikkaji
- J36.970E
Properties
Physicochemical properties
- Boiling point
- 305.75 °C · 305.75°C (rough estimate)
- Density
- 1.0013 · 1.0013 (rough estimate)
- vapor pressure
- 3.5 · 3.5-6.1Pa at 20-25℃
- refractive index
- 1.4576 · 1.4576 (estimate)
- FEMA
- 2640 · 2640 | LINALYL ISOBUTYRATE
- FLAVIS Number
- 9.423 · 09.423 | Linalyl isobutyrate
- Odor
- 100 % · at 100.00 %. light fruity lavender woody bergamot
- Odor Type
- fruity
- JECFA Number
- 362 · 362
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 5.5 at · 5.5 at 30℃ and pH7
- Substances Added to Food (formerly EAFUS)
- LINALYL ISOBUTYRATE
- FDA 21 CFR
- 172.515 · 172.515
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8867 Y4G46L · 8867Y4G46L
- NIST Chemistry Reference
- Linalyl isobutyrate(78-35-3)
- EPA Substance Registry System
- 3 · 3,7-Dimethyl-1,6-octadien-3-ol isobutyrate (78-35-3)
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety data
- tsca
- TSCA listed
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
- REACH Registrations
- Active
Chemistry & industry
Applications
DescriptionLinalyl isobutyrate has a light, fruity odor with a lavender note and a sweet flavor reminiscent of black currant. May be synthe sized by esterification of linalool with isobutyric anhydride.
OccurrenceReported found in the essential oil of Ceylon cinnamon and in lavender oil; a dextrorotatory form has been reported in the oil from leaves of Agathosoma gnidioides and sour cherry.
UsesLinalyl Isobutyrate is a flavoring agent that is a liquid, slightly yellow in color with a fruity odor. it is miscible in alcohol, ether, and chloroform, and insoluble in water. it is obtained by chemical synthesis. it is also termed 3,7-dimethyl-2,6-octadien-3-yl isobutrate.
Preparation methods
PreparationBy esterification of linalool with isobutyric anhydride.
Upstream & downstream products
Upstream raw materials
Suppliers42 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
湖北盛明安化工有限公司13928406992 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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