3-(4-叔丁基苯基)丙醛

Description

3-(4-tert-butylphenyl)propionaldehyde · CAS 18127-01-0 · C13H18O. UNII H3XVS6E70V.

Identification

CAS Registry Number	18127-01-0
PubChem CID	64832
Molecular formula	C13H18O
IUPAC name	3-(4-tert-butylphenyl)propanal
UNII (FDA)	H3XVS6E70V

Computed Descriptors

Molecular Weight	190.28
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	190.135765193
Monoisotopic Mass	190.135765193
Topological Polar Surface Area	17.1
Heavy Atom Count	14
Formal Charge	0

Physical description & handling notes

• Liquid
• 93.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6044808]

Regulatory Status

GHS notification summary	0.2% (3 / 1613)

GHS Hazard Classification

GHS notification summary	0.2% (3 / 1613)
Reported hazard statements	H301 (19.2%), H315 (79.8%), H317 (99.8%), H361 (91.6%), H373 (79.7%), H411 (20%), H412 (77.7%), H360

Documented Uses

• Information on 21 consumer products that contain 3-(4-tert-Butylphenyl)propionaldehyde
 in the following categories is provided:
• p-tert-Butyldihydrocinnamaldehyde
• Benzenepropanal, 4-(1,1-dimethylethyl)-; 3-(4-tert-Butylphenyl)propionaldehyde; Bourgeonal (commercial name); Liliphenal (commercial name)
• 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
• DERMAL SENSITIZATION AND SYSTEMIC TOXICITY

Synonyms

Bourgeonal; 3-(4-tert-butylphenyl)propanal; 18127-01-0; Benzenepropanal, 4-(1,1-dimethylethyl)-; DTXSID6044808; H3XVS6E70V; DTXCID4024808; RefChem:121158; 242-016-2; 3-(4-(tert-Butyl)phenyl)propanal; 4-(1,1-Dimethylethyl)benzenepropanal; p-tert-Butyldihydrocinnamaldehyde; 3-(4-tert-Butylphenyl)propionaldehyde; p-tert-Butylhydrocinnamic aldehyde; MFCD00169819; BRN 2439407

Frequently Asked Questions

What are the CAS number and molecular formula of 3-(4-tert-butylphenyl)propionaldehyde?

CAS 18127-01-0; molecular formula C13H18O; molecular weight — g/mol.

What other names is 3-(4-tert-butylphenyl)propionaldehyde known by?

Bourgeonal, 3-(4-tert-butylphenyl)propanal, 18127-01-0, Benzenepropanal, 4-(1,1-dimethylethyl)-, DTXSID6044808, H3XVS6E70V.

Is 3-(4-tert-butylphenyl)propionaldehyde classified as hazardous?

0.2% of GHS notifications report no hazard classification (3 of 1613).

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.