Grundinformationen
- CAS
101-86-0- Standard-SMILES
CCCCCC/C(C=O)=C\c1ccccc1- InChIKey
GUUHFMWKWLOQMM-NTCAYCPXSA-N- Summenformel
- C15H20O
- Durchschnittliche Molmasse
- 216,32 g/mol
- Monoisotopische Masse
- 216,15141526
Überblick
Alpha-hexylcinnamaldehyde is a member of the class of cinnamaldehydes carrying a hexyl substituent at the alpha-position. It is functionally related to an (E)-cinnamaldehyde.
Namen und Bezeichner
- Bevorzugter Name
- alpha-Hexylcinnamaldehyde
- IUPAC
- (2E)-2-benzylideneoctanal
- Lokaler Name
- α-Hexylzimtaldehyd
- Englischer Name
- alpha-Hexylcinnamaldehyde
- Summenformel
- C15H20O
- Molmasse
- 216.32
Namen und Synonyme
alpha-Hexylcinnamaldehyde101-86-0(2E)-2-benzylideneoctanal2-Benzylideneoctanalalpha-Hexylcinnamic aldehydealpha-Hexylcinnamyl aldehydealpha-Hexyl-beta-phenylacroleinCHEBI:55365alpha-n-Hexyl-beta-phenylacroleinOctanal, 2-(phenylmethylene)-NSC-406799FEMA No. 2569
Weitere Namen anzeigen
HCAHEXYL CINNAMIC ALDEHYDEHEXYL CINNAMALJASMONAL Hα-HexylcinnamaldehydeFEMA 2569A-HEXYLCINNAMALDEHYDEalpha-Hexylzimtaldehyd2-(phenylmethylene)-Octanal
CINNAMALDEHYDE, alpha-HEXYL-hexyl cinnamaldehyde7X6O37OK2IRefChem:555734202-983-3165184-98-5HexylcinnamaldehydeHexylcinnamal
Datenbank-Bezeichner
- CAS
101-86-0、165184-98-5- PubChem CID
- 1550884
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,8
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 211
Experimentelle und physikochemische Eigenschaften
CosmeticsCosmetics ingredient -> Base; Flavor; Fragrance; Moisturizing/Humectant; Opacifying Agent; Other (Specify); Preservative/Stabilizer
SpringerMaterials PropertiesSound absorption
Fragrances
Fragrance substance (alpha-Hexyl cinnamic aldehyde) -> IFRA amendment 49
Fragrance Ingredient (2-Hexyl-(E)-cinnamaldehyde) -> IFRA transparency List
Fragrance Ingredient (alpha-Hexylcinnamaldehyde) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.950-0.961
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; miscible in oils
miscible (in ethanol)
Boiling Point174-175 °C (15 mm Hg)
Melting Point
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for < 0.1% (2 of 2496) of reports.
Warning
H317 (99.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2496 reports by companies from 37 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Gefahrenhinweise
Regulatory Information
Chemical: Octanal, 2-(phenylmethylene)-
Hazard Traits - Fragrance Allergen
Regulation (EC) No 1831/2003 (amended)
Octanal, 2-(phenylmethylene)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octanal, 2-(phenylmethylene)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 01-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/15843
2-Hexylcinnamaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Amyl and hexyl cinnamaldehyde: Human health tier II assessment
Hazard Classes and Categories
Skin Sens. 1 (99.6%)
Skin Sens. 1 (100%)
Skin irritation - category 2
Skin corrosion/irritation - Category 2
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
U.S. Production2023: 25,000,000 - <40,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
IFRA Fragrance Standards
alpha-Hexyl cinnamic aldehyde
2-Benzylideneoctanal; Hexyl cinnamal; α-Hexyl cinnamaldehyde; Hexyl cinnamic aldehyde; α-n-Hexylcinnamic aldehyde; Hexyl cinnamyl; α-n-Hexyl-β-phenylacrolein; Octanal, 2-(phenylmethylene)-; Jasmonal H (commercial name)
IFRA_STD_040.pdf
49
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Household Products
Cosmetics product ingredient: 2-Benzylideneoctanal (HEXYL CINNAMAL)
Information on 832 consumer products that contain Hexyl Cinnamal in the following categories is provided:
Information on 123 consumer products that contain alpha-Hexylcinnamaldehyde, (2E)- in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
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