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| IUPAC name : | 3-phenylprop-2-enal |
| InChI : | InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H |
| InChIKey : | KJPRLNWUNMBNBZ-UHFFFAOYAB |
| SMILES : | C1=CC=C(C=C1)C=CC=O |
| cas number : | 104-55-2 |
| (EINECS) number : | 203-213-9 |
| beilstein number : | 1071571 |
| fema number : | 2286 |
| coe number : | 102 |
| jecfa number : | 656 |
| fl. number : | 05.014 |
| molar refractivity : | 42.32 ± 0.3 cm3 |
| parachor : | 319.1 ± 4.0 cm3 |
| index of refraction : | 1.577 ± 0.02 |
| surface tension : | 38.9 ± 3.0 dyne/cm |
| density : | 1.034 ± 0.06 g/cm3 |
| polarizability : | 16.78 ± 0.5 10-24cm3 |
| XlogP : | 2.00 |
| XlogP3 : | 1.90 |
| molecular weight : | 132.1592200 (IUPAC) |
| formula : | C9 H8 O |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| IUPAC name : | (E)-3-phenylprop-2-enal |
| InChI : | InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+ |
| InChIKey : | KJPRLNWUNMBNBZ-QPJJXVBHBH |
| SMILES : | C1=CC=C(C=C1)/C=C/C=O |
| cas number : | 14371-10-9 |
| beilstein number : | 1071571 |
| molar refractivity : | 42.32 ± 0.3 cm3 |
| parachor : | 319.1 ± 4.0 cm3 |
| index of refraction : | 1.577 ± 0.02 |
| surface tension : | 38.9 ± 3.0 dyne/cm |
| density : | 1.034 ± 0.06 g/cm3 |
| polarizability : | 16.78 ± 0.5 10-24cm3 |
| XlogP : | 2.00 |
| XlogP3 : | 1.90 |
| molecular weight : | 132.1592200 (IUPAC) |
| formula : | C9 H8 O |
| BioActivity Analysis : | 48413467 |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| IUPAC name : | (Z)-3-phenylprop-2-enal |
| InChI : | InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4- |
| InChIKey : | KJPRLNWUNMBNBZ-DAXSKMNVBC |
| SMILES : | C1=CC=C(C=C1)/C=C\C=O |
| cas number : | 57194-69-1 |
| molar refractivity : | 42.32 ± 0.3 cm3 |
| parachor : | 319.1 ± 4.0 cm3 |
| index of refraction : | 1.577 ± 0.02 |
| surface tension : | 38.9 ± 3.0 dyne/cm |
| density : | 1.034 ± 0.06 g/cm3 |
| polarizability : | 16.78 ± 0.5 10-24cm3 |
| XlogP : | 2.00 |
| XlogP3 : | 1.90 |
| molecular weight : | 132.1592200 (IUPAC) |
| formula : | C9 H8 O |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| export tariff code : | 2912.29.6000 |
| fda reg : | 182.60 |
Suppliers :
|
| Aceto : | Cinnamic Aldehyde
FCC & Kosher |
| Advanced Biotech : | cinnamic aldehyde
98% min. natural |
| Advanced Biotech : | CINNAMIC ALDEHYDE
NATURAL |
| Apple : | Cinnamaldehyde
|
| Berje : | Cinnamic Aldehyde 92%
Natural |
| Berje : | Cinnamic Aldehyde
|
| Cargill : | CINNAMIC ALDEHYDE (EU NAT)
natural, Kosher Odor: Cinnamon, Spice, Burning, Fragrant |
| Citrus and Allied Essences : | Cinnamic Aldehyde
98% (natural) |
| Citrus and Allied Essences : | Cinnamic Aldehyde
FCC |
| Elan : | cinnamaldehyde
(natural), Kosher |
| Fleurchem : | cinnamic aldehyde
natural |
| Fleurchem : | cinnamic aldehyde
|
| Godavari : | Cinnamic aldehyde
|
| Hofmen : | Cinnamaldehyde
99%, (naturals) |
| Inoue : | CINNAMALDEHYDE
|
| John D. Walsh : | Cinnamic Aldehyde
|
| Mane : | cinnamaldehyde
(ex Cinnamon) |
| Moellhausen : | cinnamaldehyde
99% min. nature identical kosher |
| Moellhausen : | cinnamaldehyde
98% min. natural kosher |
| Mooreganics : | Cinnamic Aldehyde
Natural (Organic Compliant) Odor: PUNGENT, SPICY, CINNAMON-LIKE |
| Payand Betrand : | Cinnamic aldehyde
China, Natural Isolated Constituent |
| Penta : | cinnamaldehyde
|
| Penta : | cinnamaldehyde
natural |
| Polarome : | CINNAMIC ALDEHYDE
FCC |
| SAFC Global® : | Cinnamaldehyde
≥98%, FCC, Kosher Odor: cinnamon; clove; spicy; sweet; vanilla. |
| SAFC Global® : | Cinnamaldehyde
≥93%, natural, Kosher, FG Odor: cinnamon; clove; spicy; sweet; vanilla. |
| Symrise : | Cinnamic aldehyde
Odor: very strong, sweet, balsamic, typically cinnamon, faint almond Flavor: sweet, cinnamon. |
| Ungerer : | Cinnamaldehyde
|
| Vigon : | Cinnamic Aldehyde
Natural Odor: Very strong, sweet, balsamic, typically cinnamon, faint almond |
| Vigon : | Cinnamic Aldehyde
FCC Odor: CINNAMON-LIKE |
organoleptics :
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| odor type : | spicy |
| odor strength : | high , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | sweet spice cinnamon red hots warm Luebke, William tgsc, (1981) |
| odor sample from : | Fritzsche Dodge & Olcott, Inc. |
odor description:
| Cassia, cinnamon, cinnamon bark and red hots Mosciano, Gerard P&F 23, No. 1, 33, (1998) |
taste description: at 0.50 ppm. | Spicy, cinnamon and cinnamon bark Mosciano, Gerard P&F 23, No. 1, 33, (1998) |
| substantivity : | 212 hour(s) at 100.00 % |
properties :
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| appearence : | pale yellow to dark yellow clear oily liquid |
| assay : | 98.00 to 100.00 % sum of isomers
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| equivalence factor for assay : | 66.08 |
| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.04600 to 1.05000 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.704 to 8.737
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| specific gravity : | 1.05000 to 1.05800 @ 15.00 °C.
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| pounds per gallon - calc. : | 8.755 to 8.822
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| refractive index : | 1.61900 to 1.62300 @ 20.00 °C.
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| melting point : | -8.00 to -6.00 °C. @ 760.00 mm Hg
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| boiling point : | 248.00 to 251.00 °C. @ 760.00 mm Hg
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| boiling point : | 131.00 to 132.00 °C. @ 20.00 mm Hg
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| acid value : | 10.00 max. KOH/g
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| vapor pressure : | 0.03000 mm/Hg @ 25.00 °C. |
| vapor density : | 4.6 ( Air = 1 ) |
| flash point : | 200.00 °F. TCC ( 93.33 °C. )
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| logP (o/w) : | 2.12 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | refrigerate in tightly sealed containers. store under nitrogen. |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 21/41 - Harmful in contact with skin, risk of serious damage to eyes. R 38 - Irritating to skin. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| Human experience : | 8 % solution: skin irritation. 2 % solution: sensitising. |
| Oral Toxicity(LD50) : | |
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Oral-Rat 2200.00 mg/kg Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
Oral-Mouse 2225.00 mg/kg Yakugaku Zasshi. Journal of Pharmacy. Vol. 92, Pg. 135, 1972.
intravenous-Mouse 75.00 mg/kg NIOSH Exchange Chemicals. Vol. NX#07571
Intraperitoneal-Mouse 200.00 mg/kg FAO Nutrition Meetings Report Series. Vol. 44A, Pg. 16, 1967.
Oral-Guineapig 1160.00 mg/kg Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
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| Dermal Toxicity(LD50) : | |
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Skin-Rabbit 0.59 ml/kg
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 2100.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 59000.00 (μg/capita/day) |
| Structure Class : | I |
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| IFRA critical Effect : | Sensitization |
| IFRA fragrance material specification : |
| | The concentration of Cinnamic aldehyde in the finished cosmetic
product should not exceed 0.1%. |
| Fragrance usage is IFRA RESTRICTED to : |
| Please review all IFRA documents for complete information. (QRA) |
| IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
|
Category 1 : See Note (1) | 0.02 % (1) | Category 2 : | 0.02 % |
| Category 3 : | 0.05 % | Category 4 : | 0.05 % |
| Category 5 : | 0.05 % | Category 6 : See Note (1) | 0.40 % (1) |
| Category 7 : | 0.04 % | Category 8 : | 0.05 % |
| Category 9 : | 0.05 % | Category 10 : | 0.05 % |
| Category 11 : | See Note (2) |
| | Notes : |
| | For this material, for pragmatic reasons, restrictive levels allowed by the QRA for certain categories but actually being higher than those already in place before applying the QRA, will temporarily not be implemented until the end of a 5 year monitoring phase. At the end of the 5 years the position will be reevaluated again. |
| | (1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org). |
| | (2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product. |
| recommendation for cinnamaldehyde flavor usage levels up to : |
| | 4900.0000 ppm in the flavor.
|
safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| msds : | msds |
| EPI System : | view |
| IUCLID : | view |
| NLM Hazardous Substances Data Bank : | search |
| IFRA : | IFRA - ( Found under : Cinnamic aldehyde ) |
| Chemical Carcinogenesis Research Information System : | Search |
| AIDS Citations : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
| WISER : | UN 2810 |
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| WGK Germany : | 3 |
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| | 3-phenylprop-2-enal |
| (EINECS) number : | 203-213-9 |
| RTECS : | GD6475000 for cas# 104-55-2 |
| chemidplus : | 000104552 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 104-55-2 |
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| | (E)-3-phenylprop-2-enal |
| chemidplus : | 014371109 |
| EPA Substance Registry Services : | 14371-10-9 |
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| | (Z)-3-phenylprop-2-enal |
| chemidplus : | 057194691 |
| EPA Substance Registry Services : | 57194-69-1 |
references :
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| | 3-phenylprop-2-enal |
| fl. number : | 05.014 |
| jecfa number : | 656 |
| NIST Chemistry WebBook : | 1407649695 |
| pubchem : | 10502946 |
| | (E)-3-phenylprop-2-enal |
| NIST Chemistry WebBook : | 3418959169 |
| pubchem : | 169354 |
| Flavornet : | 14371-10-9 |
| | (Z)-3-phenylprop-2-enal |
| NIST Chemistry WebBook : | 19583838 |
| pubchem : | 757838 |
Cosmetics :
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| Cosmetic uses : |
denaturants
flavoring agents
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| | C of A |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |
| Household Products : | Search |