2-Pentyl-3-phenylprop-2-en-1-ol
-
Identifiers
CAS number
101-85-9Molecular formula
C14H20OSMILES
CCCCC/C(=C/C1=CC=CC=C1)/CO
Safety labels
IrritantRetention indicies (RI)
- DB5: 1657.0
-
Odor profile
Floral 86.02% Fruity 79.26% Sweet 72.76% Balsamic 57.93% Jasmin 54.66% Herbal 48.52% Spicy 46.88% Green 46.51% Rose 44.74% Waxy 42.23% Scent© AI
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Properties
XLogP3-AA
4.4pKa est.
8.46 (weak base)Molecular weight
204.31 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point
- 141.00 to 143.00 °C. @ 5.00 mm Hg
Flash point est.
147.18 ˚CSolubility expt.
- insoluble in water
- miscible (in ethanol)
-
Synonyms
- 2-benzylideneheptan-1-ol
- 101-85-9
- alpha-Amylcinnamyl alcohol
- 2-Benzylideneheptanol
- (2Z)-2-benzylideneheptan-1-ol
- alpha-Pentylcinnamyl alcohol
- 943517-69-9
- 36J0A47E6X
- (2Z)-2-(Phenylmethylene)-1-heptanol
- 2-Amyl-3-phenyl-2-propen-1-ol
- 1-Heptanol, 2-(phenylmethylene)-
- 2-Pentylcinnamic alcohol
- 2-Pentyl-3-phenylprop-2-en-1-ol
- alpha-Amylcinnamic alcohol
- 1-Heptanol, 2-(phenylmethylene)-, (2Z)-
- 2-(Phenylmethylene)-1-heptanol
- (2E)-2-Pentyl-3-phenyl-2-propen-1-ol
- a-amylcinnamyl alcohol
- 2-Pentyl-3-phenyl-2-propen-1-ol
- Amyl cinnamic alcohol
- a-Pentylcinnamyl alcohol
- UNII-36J0A47E6X
- (Z)-alpha-amylcinnamyl alcohol
- CHEMBL3182479
- FEMA 2065
- LIPHCKNQPJXUQF-KAMYIIQDSA-N
- alpha-Amylcinnamyl alcohol, (Z)-
- AKOS016010106
- 2-(Phenylmethylene)-1-heptanol, 9CI
- DS-3976
- (2Z)-2-(phenylmethylidene)heptan-1-ol
- .ALPHA.-AMYLCINNAMYL ALCOHOL, (Z)-
- Q27256571
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 7782.12 methanol 5016.68 isopropanol 5616.78 water 0.05 ethyl acetate 9440.11 n-propanol 6817.65 acetone 9577.79 n-butanol 5640.08 acetonitrile 5978.1 DMF 4726.26 toluene 2125.28 isobutanol 3959.41 1,4-dioxane 5766.06 methyl acetate 5131.44 THF 6073.34 2-butanone 6943.57 n-pentanol 2433.59 sec-butanol 4234.72 n-hexane 338.47 ethylene glycol 340.06 NMP 1452.71 cyclohexane 542.98 DMSO 5801.46 n-butyl acetate 3618.19 n-octanol 516.97 chloroform 6055.83 n-propyl acetate 2905.05 acetic acid 1736.25 dichloromethane 7689.25 cyclohexanone 4696.32 propylene glycol 864.17 isopropyl acetate 3293.15 DMAc 2259.25 2-ethoxyethanol 2467.8 isopentanol 3562.27 n-heptane 184.67 ethyl formate 2427.9 1,2-dichloroethane 6875.65 n-hexanol 2545.07 2-methoxyethanol 5516.75 isobutyl acetate 1280.72 tetrachloromethane 576.77 n-pentyl acetate 1086.97 transcutol 8294.51 n-heptanol 616.25 ethylbenzene 681.1 MIBK 2159.93 2-propoxyethanol 3026.11 tert-butanol 4366.94 MTBE 5158.21 2-butoxyethanol 1219.69 propionic acid 2042.92 o-xylene 641.17 formic acid 241.29 diethyl ether 9441.43 m-xylene 885.88 p-xylene 595.48 chlorobenzene 1826.97 dimethyl carbonate 999.77 n-octane 58.48 formamide 774.84 cyclopentanone 4486.81 2-pentanone 6858.88 anisole 1422.93 cyclopentyl methyl ether 3256.93 gamma-butyrolactone 3563.06 1-methoxy-2-propanol 4055.61 pyridine 4914.9 3-pentanone 3632.9 furfural 2134.55 n-dodecane 34.25 diethylene glycol 1210.91 diisopropyl ether 1310.97 tert-amyl alcohol 2823.55 acetylacetone 3553.86 n-hexadecane 40.89 acetophenone 1046.69 methyl propionate 4672.91 isopentyl acetate 2205.49 trichloroethylene 8307.41 n-nonanol 435.17 cyclohexanol 2344.39 benzyl alcohol 1002.86 2-ethylhexanol 1173.5 isooctanol 491.92 dipropyl ether 2782.6 1,2-dichlorobenzene 1131.28 ethyl lactate 533.67 propylene carbonate 1661.8 n-methylformamide 2376.24 2-pentanol 3617.86 n-pentane 356.56 1-propoxy-2-propanol 2418.64 1-methoxy-2-propyl acetate 1941.78 2-(2-methoxypropoxy) propanol 682.95 mesitylene 426.73 ε-caprolactone 2956.75 p-cymene 285.77 epichlorohydrin 6200.91 1,1,1-trichloroethane 3741.93 2-aminoethanol 1406.35 morpholine-4-carbaldehyde 2165.25 sulfolane 2722.17 2,2,4-trimethylpentane 113.38 2-methyltetrahydrofuran 5261.07 n-hexyl acetate 1321.48 isooctane 109.07 2-(2-butoxyethoxy)ethanol 1323.47 sec-butyl acetate 1486.97 tert-butyl acetate 2103.07 decalin 149.31 glycerin 663.08 diglyme 2938.48 acrylic acid 1023.76 isopropyl myristate 376.93 n-butyric acid 4504.25 acetyl acetate 1861.22 di(2-ethylhexyl) phthalate 241.89 ethyl propionate 2366.13 nitromethane 3873.88 1,2-diethoxyethane 3888.2 benzonitrile 1377.98 trioctyl phosphate 204.54 1-bromopropane 4733.32 gamma-valerolactone 4148.71 n-decanol 297.83 triethyl phosphate 357.37 4-methyl-2-pentanol 1041.68 propionitrile 4631.22 vinylene carbonate 1384.33 1,1,2-trichlorotrifluoroethane 2259.49 DMS 780.3 cumene 326.44 2-octanol 359.5 2-hexanone 2616.64 octyl acetate 454.61 limonene 534.47 1,2-dimethoxyethane 4483.6 ethyl orthosilicate 401.58 tributyl phosphate 285.19 diacetone alcohol 1859.27 N,N-dimethylaniline 578.23 acrylonitrile 3741.64 aniline 2055.6 1,3-propanediol 2320.42 bromobenzene 2025.25 dibromomethane 5099.01 1,1,2,2-tetrachloroethane 5851.86 2-methyl-cyclohexyl acetate 687.17 tetrabutyl urea 367.18 diisobutyl methanol 509.85 2-phenylethanol 989.64 styrene 1052.4 dioctyl adipate 477.56 dimethyl sulfate 910.67 ethyl butyrate 2065.66 methyl lactate 851.01 butyl lactate 607.12 diethyl carbonate 893.44 propanediol butyl ether 833.08 triethyl orthoformate 901.54 p-tert-butyltoluene 262.6 methyl 4-tert-butylbenzoate 517.8 morpholine 8246.56 tert-butylamine 2721.15 n-dodecanol 216.22 dimethoxymethane 5367.14 ethylene carbonate 1455.93 cyrene 466.7 2-ethoxyethyl acetate 1566.56 2-ethylhexyl acetate 1494.25 1,2,4-trichlorobenzene 1221.0 4-methylpyridine 4256.65 dibutyl ether 1490.43 2,6-dimethyl-4-heptanol 509.85 DEF 4255.36 dimethyl isosorbide 1000.68 tetrachloroethylene 3377.33 eugenol 521.68 triacetin 782.77 span 80 594.84 1,4-butanediol 559.96 1,1-dichloroethane 6542.91 2-methyl-1-pentanol 1640.13 methyl formate 1404.33 2-methyl-1-butanol 3280.42 n-decane 71.27 butyronitrile 5291.19 3,7-dimethyl-1-octanol 584.86 1-chlorooctane 409.7 1-chlorotetradecane 117.46 n-nonane 76.83 undecane 46.33 tert-butylcyclohexane 137.64 cyclooctane 138.2 cyclopentanol 1838.88 tetrahydropyran 8724.06 tert-amyl methyl ether 2345.44 2,5,8-trioxanonane 1339.99 1-hexene 2048.67 2-isopropoxyethanol 1519.64 2,2,2-trifluoroethanol 278.98 methyl butyrate 3213.96 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
|
Category 1
Products applied to the lips
|
0.27 % |
Category 7A
Rinse-off products applied to the hair with some hand contact
|
0.64 % |
|
Category 2
Products applied to the axillae
|
0.08 % |
Category 7B
Leave-on products applied to the hair with some hand contact
|
0.64 % |
|
Category 3
Products applied to the face/body using fingertips
|
0.64 % |
Category 8
Products with significant anogenital exposure
|
0.11 % |
|
Category 4
Products related to fine fragrance
|
1.5 % |
Category 9
Products with body and hand exposure, primarily rinse off
|
1.6 % |
|
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
|
0.38 % |
Category 10A
Household care products with mostly hand contact
|
1.6 % |
|
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
|
0.32 % |
Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
|
3.5 % |
|
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
|
0.38 % |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
|
0.11 % |
|
Category 5D
Baby Creams, baby Oils and baby talc
|
0.11 % |
Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
|
0.11 % |
|
Category 6
Products with oral and lip exposure
|
0.32 % |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
|
79 % |
| Name | CAS | Botanical | Proportion |
|---|---|---|---|
| Rue (Cuba) | 8014-29-7 | Ruta graveolens L., fam. Rutaceae | 0.61% |