Citronellyl anthranilate
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Identifiers
CAS number
68555-57-7Molecular formula
C17H25NO2SMILES
CC(CCC=C(C)C)CCOC(=O)C1=CC=CC=C1N
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Odor profile
Fragrance Floral 87.3% Sweet 67.03% Rose 65.49% Fruity 63.99% Grape 50.74% Fresh 48.86% Citrus 47.26% Neroli 44.65% Lily 41.55% Orange 38.05% Flavor Floral 48.92% Herbal 46.23% Woody 41.29% Fruity 30.77% Bitter 29.64% Balsam 26.96% Sweet 25.69% Warm 24.98% Green 24.08% Spicy 24.08% Odor impact est.
Medium -
Properties
XLogP3-AA
5.9pKa est.
6.3 (neutral)Molecular weight
275.4 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point
- 365.00 °C. @ 760.00 mm Hg
Flash point
- 173.8 ˚C est.
Solubility expt.
- Insoluble in water
- Soluble (in ethanol)
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Synonyms
- Citronellyl anthranilate
- 3,7-Dimethyloct-6-enyl 2-aminobenzoate
- 68555-57-7
- 6-Octen-1-ol, 3,7-dimethyl-, 2-aminobenzoate
- UNII-151MU54E8I
- 6-Octen-1-ol, 3,7-dimethyl-, 1-(2-aminobenzoate)
- 151MU54E8I
- 3,7-dimethyloct-6-en-1-yl 2-aminobenzoate
- EINECS 271-433-2
- FEMA NO. 4086
- DTXSID40867674
- CITRONELLYL ANTHRANILATE [FHFI]
- 3,7-Dimethyl-6-octen-1-ol-2-aminobenzoate
- SCHEMBL2419517
- DTXCID70815845
- CHEBI:172321
- 3,7-Dimethyl-6-octenyl 2-aminobenzoate #
- NS00062760
- Q27251666
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Applications
Citronellyl anthranilate (CAS 68555-57-7) is primarily used as a fragrance ingredient in perfumery, providing citrus-floral notes and acting as a fixative to extend fragrance longevity in formulations. It is also employed in cosmetics and personal care products to impart a scented profile, and in household products such as air fresheners and cleaners to contribute a fresh fragrance. Additionally, it may be evaluated for flavor/aroma applications in appropriate contexts within aroma chemistry, reflecting its odor-active ester character. Its use is subject to local regulations and formulation limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 1475.0 methanol 1321.17 isopropanol 1025.18 water 0.18 ethyl acetate 927.53 n-propanol 1056.35 acetone 1424.07 n-butanol 862.94 acetonitrile 702.31 DMF 920.14 toluene 316.53 isobutanol 640.95 1,4-dioxane 1417.14 methyl acetate 660.41 THF 1866.61 2-butanone 973.0 n-pentanol 495.37 sec-butanol 712.3 n-hexane 11.36 ethylene glycol 54.06 NMP 618.87 cyclohexane 41.84 DMSO 1346.56 n-butyl acetate 367.84 n-octanol 102.16 chloroform 1552.03 n-propyl acetate 378.95 acetic acid 680.6 dichloromethane 1400.94 cyclohexanone 1003.12 propylene glycol 235.63 isopropyl acetate 404.04 DMAc 746.89 2-ethoxyethanol 580.72 isopentanol 581.03 n-heptane 6.48 ethyl formate 425.09 1,2-dichloroethane 1010.55 n-hexanol 382.0 2-methoxyethanol 1287.99 isobutyl acetate 212.82 tetrachloromethane 107.1 n-pentyl acetate 193.6 transcutol 1735.24 n-heptanol 137.13 ethylbenzene 95.56 MIBK 329.2 2-propoxyethanol 631.43 tert-butanol 749.58 MTBE 498.63 2-butoxyethanol 319.19 propionic acid 409.13 o-xylene 126.49 formic acid 154.27 diethyl ether 638.83 m-xylene 159.98 p-xylene 130.49 chlorobenzene 401.8 dimethyl carbonate 167.9 n-octane 3.39 formamide 307.53 cyclopentanone 1171.35 2-pentanone 764.17 anisole 257.83 cyclopentyl methyl ether 562.09 gamma-butyrolactone 1016.72 1-methoxy-2-propanol 907.67 pyridine 889.72 3-pentanone 435.0 furfural 657.34 n-dodecane 3.33 diethylene glycol 355.36 diisopropyl ether 92.0 tert-amyl alcohol 518.77 acetylacetone 630.78 n-hexadecane 4.0 acetophenone 240.56 methyl propionate 499.81 isopentyl acetate 308.67 trichloroethylene 1677.0 n-nonanol 92.56 cyclohexanol 601.81 benzyl alcohol 276.92 2-ethylhexanol 144.02 isooctanol 107.43 dipropyl ether 141.02 1,2-dichlorobenzene 274.78 ethyl lactate 157.91 propylene carbonate 494.46 n-methylformamide 508.31 2-pentanol 440.86 n-pentane 12.8 1-propoxy-2-propanol 416.39 1-methoxy-2-propyl acetate 364.18 2-(2-methoxypropoxy) propanol 251.09 mesitylene 81.27 ε-caprolactone 699.61 p-cymene 50.91 epichlorohydrin 1568.67 1,1,1-trichloroethane 684.39 2-aminoethanol 293.82 morpholine-4-carbaldehyde 723.39 sulfolane 944.34 2,2,4-trimethylpentane 11.08 2-methyltetrahydrofuran 1188.94 n-hexyl acetate 250.89 isooctane 8.48 2-(2-butoxyethoxy)ethanol 460.21 sec-butyl acetate 217.55 tert-butyl acetate 341.45 decalin 15.44 glycerin 229.74 diglyme 791.65 acrylic acid 254.76 isopropyl myristate 75.56 n-butyric acid 844.19 acetyl acetate 366.95 di(2-ethylhexyl) phthalate 92.03 ethyl propionate 272.81 nitromethane 1120.69 1,2-diethoxyethane 425.95 benzonitrile 308.39 trioctyl phosphate 66.12 1-bromopropane 469.03 gamma-valerolactone 1341.52 n-decanol 64.34 triethyl phosphate 87.55 4-methyl-2-pentanol 172.87 propionitrile 466.76 vinylene carbonate 377.73 1,1,2-trichlorotrifluoroethane 706.52 DMS 192.38 cumene 58.91 2-octanol 80.29 2-hexanone 369.66 octyl acetate 109.49 limonene 82.74 1,2-dimethoxyethane 868.09 ethyl orthosilicate 88.11 tributyl phosphate 80.67 diacetone alcohol 444.81 N,N-dimethylaniline 136.4 acrylonitrile 459.53 aniline 472.86 1,3-propanediol 588.02 bromobenzene 375.25 dibromomethane 838.49 1,1,2,2-tetrachloroethane 1376.1 2-methyl-cyclohexyl acetate 172.27 tetrabutyl urea 101.19 diisobutyl methanol 70.83 2-phenylethanol 251.55 styrene 134.04 dioctyl adipate 128.72 dimethyl sulfate 217.92 ethyl butyrate 218.32 methyl lactate 237.25 butyl lactate 174.8 diethyl carbonate 134.81 propanediol butyl ether 299.56 triethyl orthoformate 148.1 p-tert-butyltoluene 51.97 methyl 4-tert-butylbenzoate 178.47 morpholine 2038.29 tert-butylamine 316.58 n-dodecanol 46.27 dimethoxymethane 748.73 ethylene carbonate 355.46 cyrene 216.61 2-ethoxyethyl acetate 314.16 2-ethylhexyl acetate 217.06 1,2,4-trichlorobenzene 348.12 4-methylpyridine 806.96 dibutyl ether 112.65 2,6-dimethyl-4-heptanol 70.83 DEF 566.36 dimethyl isosorbide 396.76 tetrachloroethylene 648.9 eugenol 194.62 triacetin 217.67 span 80 228.65 1,4-butanediol 171.58 1,1-dichloroethane 1011.95 2-methyl-1-pentanol 361.27 methyl formate 338.28 2-methyl-1-butanol 528.12 n-decane 5.88 butyronitrile 610.4 3,7-dimethyl-1-octanol 102.67 1-chlorooctane 50.74 1-chlorotetradecane 16.91 n-nonane 4.96 undecane 4.28 tert-butylcyclohexane 13.41 cyclooctane 8.35 cyclopentanol 556.72 tetrahydropyran 1572.71 tert-amyl methyl ether 263.8 2,5,8-trioxanonane 447.23 1-hexene 90.59 2-isopropoxyethanol 348.59 2,2,2-trifluoroethanol 135.79 methyl butyrate 410.74 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
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Category 1
Products applied to the lips
|
No restriction |
Category 7A
Rinse-off products applied to the hair with some hand contact
|
No restriction |
|
Category 2
Products applied to the axillae
|
No restriction |
Category 7B
Leave-on products applied to the hair with some hand contact
|
No restriction |
|
Category 3
Products applied to the face/body using fingertips
|
No restriction |
Category 8
Products with significant anogenital exposure
|
No restriction |
|
Category 4
Products related to fine fragrance
|
No restriction |
Category 9
Products with body and hand exposure, primarily rinse off
|
No restriction |
|
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
|
No restriction |
Category 10A
Household care products with mostly hand contact
|
No restriction |
|
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
|
No restriction |
Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
|
No restriction |
|
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
|
No restriction |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
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No restriction |
|
Category 5D
Baby Creams, baby Oils and baby talc
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No restriction |
Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
|
No restriction |
|
Category 6
Products with oral and lip exposure
|
No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
|
No restriction |