Farnesal

HCID 68150CAS 19317-11-4
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Grundinformationen

Standard-SMILES
CC(C)=CCCC(C)=CCCC(C)=CC=O
InChIKey
YHRUHBBTQZKMEX-UHFFFAOYSA-N
Summenformel
C15H24O
Durchschnittliche Molmasse
220,35 g/mol
Monoisotopische Masse
220,18271539

Namen und Bezeichner

Bevorzugter Name
Farnesal
IUPAC
3,7,11-trimethyldodeca-2,6,10-trienal

Namen und Synonyme

3,7,11-trimethyldodeca-2,6,10-trienalDTXSID80862062CHEBI:24012R265G157TQRefChem:921468FEMA NO. 4019DTXCID00810883242-957-919317-11-42,6,10-Dodecatrienal, 3,7,11-trimethyl-3,7,11-Trimethyl-2,6,10-dodecatrienalFarnesal
Weitere Namen anzeigen
Farnesone2,6,10-trimethyl-2,6,10-dodecatrien-12-alSCHEMBL379953SCHEMBL530928DB-087246NS00012479NS000860263,7,11-trimethyldodeca-2,6,10-trien-1-al

Datenbank-Bezeichner

CAS
19317-11-4
PubChem CID
68150
DTXSID
DTXSID80862062
EC Number
242-957-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,9
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
7
Schwere Atome
16

Experimentelle und physikochemische Eigenschaften

Density0.890-0.900
Solubility · 2 Einträge

Insoluble in water; 50% soluble in heptane, triacetin

soluble (in ethanol)

Boiling Point198-201 °C (8 mm Hg)
Refractive Index1.494-1.504
Physical DescriptionClear yellow liquid; floral or minty aroma

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 5.4% (77 of 1439) of reports.

Warning

H315 (94.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (91.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1439 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 77 of 1439 reports by companies.；There are 4 notifications provided by 1362 of 1439 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 2,6,10-Dodecatrienal, 3,7,11-trimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

2,6,10-Dodecatrienal, 3,7,11-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (94.6%)；Skin Sens. 1B (91.9%)

Regulatorische Informationen

Regulatory Information · 4 Einträge

Chemical: 2,6,10-Dodecatrienal, 3,7,11-trimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

2,6,10-Dodecatrienal, 3,7,11-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Chemie und Industrie

Verwendung und Herstellung

IFRA Fragrance Standards · 6 Einträge

Farnesal

2,6,10-Dodecatrienal, 3,7,11-trimethyl-; 3,7,11-Trimethyl dodecatrien-2,6,10-al-1; 3,7,11-Trimethyl-2,6,10-dodecatrienal; 3,7,11-Trimethyldodeca-2,6,10-trienal

IFRA_STD_202.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

Use Classification · 4 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information2,6,10-Dodecatrienal, 3,7,11-trimethyl-: ACTIVE
Restriction Limits in the Finished Product (%) · 6 Einträge

0.11 [Products applied to the lips]

0.032 [Products applied to the axillae]

0.11 [Products applied to the face/body using fingertips]

0.6 [Products related to fine fragrances]

0.15 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]

0.15 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]

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