(+-)-2,6-Dimethyl-5-heptenal
Grundinformationen
- CAS
77787-60-1- Standard-SMILES
CC(C)=CCCC(C)C=O- InChIKey
YGFGZTXGYTUXBA-UHFFFAOYSA-N- Summenformel
- C9H16O
- Durchschnittliche Molmasse
- 140,22 g/mol
Überblick
5-Heptenal, 2,6-dimethyl- is a monounsaturated fatty aldehyde.
Namen und Bezeichner
- Bevorzugter Name
- (+-)-2,6-Dimethyl-5-heptenal
- IUPAC
- 2,6-dimethylhept-5-enal
- Englischer Name
- 2,6-dimethylhept-5-enal
- Summenformel
- C9H16O
- Molmasse
- 0
Namen und Synonyme
2,6-Dimethyl-5-heptenal2,6-Dimethylhept-5-enal106-72-9Melonal5-HEPTENAL, 2,6-DIMETHYL-FEMA No. 23892,6-Dimethylhept-5-en-1-alDTXSID8044753dimethyl heptenalNSC-78450MELOMORZ331YX9EL9
Weitere Namen anzeigen
DTXCID6024753RefChem:4457002,6-DMH(+-)-2,6-dimethyl-5-heptenal203-427-2Bergamal2,6-Dimethyl-5-hepten-1-al2,6-Dimethyl-5-heptanal
Datenbank-Bezeichner
- CAS
77787-60-1- ChEMBL
CHEMBL3184983- ChEBI
CHEBI:229323- UNII
- Z331YX9EL9
- EC Number
- 203-427-2
- Nikkaji
- J110.527B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 121
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aldehydes
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
FragrancesFragrance Ingredient (2,6-Dimethyl-5-heptenal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.845-0.854
Flavoring AgentsEU Flavoring substances
Solubility
soluble in ethanol; insoluble in glycerol and water
1 ml in 1 ml 95% alcohol; 1 ml in 2 ml 70% alcohol (in ethanol)
Boiling Point116-124 °C (100 mm Hg)
Vapor Pressure0.76 [mmHg]
Refractive Index1.442-1.448
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.3% (5 of 1898) of reports.
Warning
H226 (86.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P272, P280, P302+P352, P303+P361+P353, P321, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1898 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 5-Heptenal, 2,6-dimethyl-
Regulation (EC) No 1831/2003 (amended)
5-Heptenal, 2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 5-Heptenal, 2,6-dimethyl- 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: 18-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/19314
5-Heptenal, 2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Category of C7-C9 aliphatic aldehydes and carboxylic acids: Members and supporting chemicals demonstrate low acute toxicity by oral, dermal, and inhalation exposures; toxicity in repeated-dose studies only at relatively high levels; no evidence of reproductive toxicity, developmental toxicity, or mutagenicity; [EPA ChAMP: Hazard Characterization] Safe when used as a flavoring agent in food; [JECFA] An irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (86.6%)
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
UsesUsed as flavoring agent or adjuvant; [FDA]
U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesOther
Household ProductsInformation on 83 consumer products that contain Dimethyl Heptenal in the following categories is provided:
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 Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
5-Heptenal, 2,6-dimethyl-: ACTIVE
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