百合醛

Description

Lilialdehyde · CAS 80-54-6 · C14H20O. UNII T7540GJV69.

Identification

CAS Registry Number	80-54-6
PubChem CID	228987
Molecular formula	C14H20O
IUPAC name	3-(4-tert-butylphenyl)-2-methylpropanal
UNII (FDA)	T7540GJV69

Computed Descriptors

Molecular Weight	204.31
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	204.151415257
Monoisotopic Mass	204.151415257
Topological Polar Surface Area	17.1
Heavy Atom Count	15
Formal Charge	0

Physical description & handling notes

• CBI; Liquid; Other Solid; Liquid

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Cosmetics ingredient -> Base; Flavor; Fragrance; Opacifying Agent; Other (Specify)

GHS Hazard Classification

Reported hazard statements	H302 (98.7%), H315 (90.9%), H317 (99.6%), H361 (84.9%), H411 (84.2%), H412 (14%), H227, H320

Documented Uses

• Not Known or Reasonably Ascertainable
• Cosmetics product ingredient: 2-(4-tert-Butylbenzyl)propionaldehyde (Lilial; BUTYLPHENYL METHYLPROPIONAL)
• Source: Butylphenyl methylpropional (Lilial) is a synthetic chemical that has not been found in nature. It has a strong floral odor and is mainly used as a fragrance in a variety of consumer products like cleaning agents, fine fragrances, cosmetics, and air fresheners.
• Potential Health Impact: Lilial acts as allergen and may cause skin irritation for people who are allergic. Lilial is toxic for reproduction. It was banned from use in cosmetics in the European Union in 2022.
• 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:

Synonyms

80-54-6; Lilial; lily aldehyde; 2-(4-tert-Butylbenzyl)propionaldehyde; Butylphenyl methylpropional; DTXSID9026500; 4-tert-butyl-alpha-methylhydrocinnamaldehyde; Benzenepropanal, 4-(1,1-dimethylethyl)-alpha-methyl-; T7540GJV69; p-tert-Butyl-alpha-methylhydrocinnamic aldehyde; NSC-22275; DTXCID606500; BETA-LILIAL; RefChem:153446; 201-289-8; 3-(4-(tert-Butyl)phenyl)-2-methylpropanal

Frequently Asked Questions

What are the CAS number and molecular formula of Lilialdehyde?

CAS 80-54-6; molecular formula C14H20O; molecular weight — g/mol.

What other names is Lilialdehyde known by?

80-54-6, Lilial, lily aldehyde, 2-(4-tert-Butylbenzyl)propionaldehyde, Butylphenyl methylpropional, DTXSID9026500.

What is the regulatory status of Lilialdehyde?

Documented regulatory listings: CIR / INCI: Cosmetics ingredient -> Base; Flavor; Fragrance; Opacifying Agent; Other (Specify).

Is Lilialdehyde classified as hazardous?

Hazard statements reported: H302, H315, H317, H361, H411.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.