Basic information
- CAS
7149-26-0- Standard SMILES
C=CC(C)(CCC=C(C)C)OC(=O)c1ccccc1N- InChIKey
WHIJSULEEDNKPD-UHFFFAOYSA-N- Molecular formula
- C17H23NO2
- Average molar mass
- 273.37 g/mol
- Monoisotopic mass
- 273.17287898
Overview
Linalyl anthranilate is a yellow-orange liquid. Insoluble in water. (NTP, 1992)
Names & identifiers
- Preferred name
- Linalyl anthranilate
- IUPAC
- 3,7-dimethylocta-1,6-dien-3-yl 2-aminobenzoate
- English name
- LINALYL ANTHRANILATE
- Molecular formula
- C17H23NO2
- Molecular weight
- 273.37
Names & synonyms
LINALYL ANTHRANILATE7149-26-0Anthranilic acid, linalyl esterLinalyl O-aminobenzoateLinalyl 2-aminobenzoateFEMA No. 26373,7-Dimethyl-1,6-octadien-3-yl 2-aminobenzoate1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoateNSC 720261,5-Dimethyl-1-vinyl-4-hexen-1-yl o-aminobenzoate1,5-Dimethyl-1-vinyl-4-hexenyl anthranilateCCRIS 4835
Show more names
LINALYLANTRANILATE3,7-dimethylocta-1,6-dien-3-yl 2-aminobenzoateNSC72026FEMA 2637NSC-72026Linallyl anthranilatelinalylo-aminobenzoate
Anthranilic acid, 1,5-dimethyl-1-vinyl-4-hexenyl esterDTXSID20255033,7-Dimethyl-1,6-octadien-3-yl, anthranilate3,7-Dimethyl-1,6-octadien-3-yl o-aminobenzoate1,6-Octadien-3-ol, 3,7-dimethyl-, o-aminobenzoateEINECS 230-472-5FPW8XDE0404-Hexen-1-ol, 1,5-dimethyl-1-vinyl-, o-aminobenzoate
Database identifiers
- CAS
7149-26-0
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Linalyl anthranilate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.052-1.058 (15.5 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble (NTP, 1992)
Insoluble in water; Soluble in dimethyl sulphoxide
Soluble (in ethanol)
Boiling Point
370.00 to 371.00 °C. @ 760.00 mm Hg
370-371 °C
Refractive Index1.516-1.522
Physical Description
Linalyl anthranilate is a yellow-orange liquid. Insoluble in water. (NTP, 1992)
Liquid
Pale straw-coloured oily liquid; Gardenia-like aroma
Physicochemical properties
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 85.8% (235 of 274) of all reports.
Warning
H315 (14.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 274 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoate: Environment tier I assessment
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Air and Water ReactionsThis compound is sensitive to air and light. (NTP, 1992). Insoluble in water.
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1,6-Octadien-3-ol, 3,7-dimethyl-, 3-(2-aminobenzoate): ACTIVE
Applications
DescriptionLinalyl anthranilate has a sweet orange-like flavor. The fragrance varies, depending on the source of linalool. May be synthesized from linalool and isatoic anhydride with catalytic amounts of sodium hydroxide; from linalyl formate plus methylanthranilate with sodium linalool.
OccurrenceHas apparently not been reported to occur in nature
General DescriptionYellow-orange liquid. Insoluble in water.
Preparation methods
PreparationFrom linalool and isatoic anhydride with catalytic amounts of sodium hydroxide; from linalyl formate plus methylanthra nilate with sodium linalool.
Suppliers9 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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