2-(4-tert-Butylbenzyl)propionaldehyd

Lilial

HCID 228987CAS 80-54-6

Grundinformationen

Standard-SMILES
CC(C=O)Cc1ccc(C(C)(C)C)cc1
InChIKey
SDQFDHOLCGWZPU-UHFFFAOYSA-N
Summenformel
C14H20O
Durchschnittliche Molmasse
204,31 g/mol
Monoisotopische Masse
204,15141526

Namen und Bezeichner

Bevorzugter Name
Lilial
IUPAC
3-(4-tert-butylphenyl)-2-methylpropanal
Lokaler Name
2-(4-tert-Butylbenzyl)propionaldehyd
Englischer Name
Lily aldehyde
Summenformel
C14H20O
Molmasse
204.31

Namen und Synonyme

80-54-6Liliallily aldehyde2-(4-tert-Butylbenzyl)propionaldehydeButylphenyl methylpropionalDTXSID90265004-tert-butyl-alpha-methylhydrocinnamaldehydeBenzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-T7540GJV69p-tert-Butyl-alpha-methylhydrocinnamic aldehydeNSC-22275DTXCID606500
Weitere Namen anzeigen
LYSMERALLillialLilialdehydesynthetic convallaria aldehyde4-(1,1-Dimethylethyl)-methylbenzenepropanalPropanal, alpha-methyl-beta-(p-tert.-butylphenyl)-
BETA-LILIALRefChem:153446201-289-83-(4-(tert-Butyl)phenyl)-2-methylpropanal3-(4-tert-Butylphenyl)isobutyraldehydeLilestralis3-(4-tert-Butylphenyl)-2-methylpropanalLilyal

Datenbank-Bezeichner

CAS
80-54-6
PubChem CID
228987
DTXSID
DTXSID9026500
ChEMBL
CHEMBL1496715
UNII
T7540GJV69
EC Number
201-289-8
Nikkaji
J11.845A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,9
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
4
Schwere Atome
15

Experimentelle und physikochemische Eigenschaften

Cosmetics · 2 Einträge

Cosmetics ingredient -> Base; Flavor; Fragrance; Opacifying Agent; Other (Specify)

Masking

Fragrances · 3 Einträge

Fragrance substance (p-tert-Butyl-α-methylhydrocinnamic aldehyde (p-BMHCA)) -> IFRA amendment 49

Fragrance Ingredient (p-t-Butyl-alpha-methylhydrocinnamic aldehyde) -> IFRA transparency List

Fragrance

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionCBI; Liquid; Other Solid; Liquid

Physikochemische Eigenschaften

Schmelzpunkt
106 · 106-109 °C
Siedepunkt
150 °C · 150°C 10mm
Dichte
0.946 g/mL · 0.946 g/mL at 20 °C(lit.)
Dampfdruck
0.25 Pa · 0.25Pa at 20℃
Brechungsindex
20 · n20/D 1.505
Flammpunkt
100 °C · 100°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H360Fd: May damage fertility; Suspected of damaging the unborn child [Danger Reproductive toxicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Danger

H302 (98.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P332+P317, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 6 Einträge

Chemical: Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl-

Hazard Traits - Reproductive Toxicity

Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanal, 4-(1,1-dimethylethyl)-.alpha.-methyl- 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: 09-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13572

Substance: 2-(4-tert-butylbenzyl)propionaldehyde

3-(4-tert-Butylphenyl)-2-methylpropanal: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Phenyl propanaldehydes
Hazard Classes and Categories · 5 Einträge

Acute Tox. 4 (98.7%)

Acute toxicity - category 4

Skin corrosion/irritation - Category 2

Flammable liquids - Category 4

Repr. 1B

Sicherheitsdaten

F
10
wgk
2
tsca
TSCA listed
ridadr
UN 3082 9/PG 3
hs_code
29121900
RTECS-Nr.
MW4895000

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesFragrance
Industry UsesFragrance
IFRA Fragrance Standards · 6 Einträge

p-tert-Butyl-α-methylhydrocinnamic aldehyde (p-BMHCA)

Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-; p-t-Bucinal; 2-(4-tert-Butylbenzyl)propionaldehyde; p-t-Butyl-alpha-methylhydrocinnamaldehyde; Butylphenyl methylpropional; alpha-Methyl-ß-(p-t-butylphenyl)propionaldehyde; Lilestralis (commercial name); Lilial (commercial name); Lysmeral (commercial name)

IFRA_STD_015.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_Prohibition: This material should not be used as a fragrance ingredient

Household Products · 3 Einträge

Cosmetics product ingredient: 2-(4-tert-Butylbenzyl)propionaldehyde (Lilial; BUTYLPHENYL METHYLPROPIONAL)

Information on 377 consumer products that contain Butylphenyl Methylpropional in the following categories is provided:

Information on 2 consumer products that contain Butylphenyl methylpropional in the following categories is provided:

Use Classification · 3 Einträge

Fragrance Ingredients

Cosmetics -> Masking

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Anwendungen · 1 Eintrag

VerwendenIn addition to its applications in the perfume and aroma industry, lilial is used mainly for the synthesis of substituted 3-(4-tert-butylphenyl)-2-methylpropylamines, a new class of substances with fungicidal properties. These compounds are effective against mildew in barley and wheat.

Anbieter50 Anbieter

常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Zugehörige Reaktionen

26

Verknüpfte Notizen

Wird geladen…