Lilestralis - 97%, high purity , CAS No.80-54-6

Item Number

L111344

Grouped product items
SKU	Size	Availability	Price	Qty
L111344-25ml	25ml	3	$21.90	+-
L111344-100ml	100ml	3	$57.90	+-
L111344-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$173.90	+-

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Basic Description

Synonyms	DS-17933 \| FT-0619488 \| Lilyaldehyde \| Propionaldehyde, .beta.-(4-tert-butylphenyl)-.alpha.-methyl- \| Tox21_201412 \| 3-(p-tert.-butylphenyl)-2-methylpropanal \| AI3-36196 \| 2-methyl-3-(4-tert-butylphenyl)-propanal \| 4-tert-butyl-.alpha.-methyl hydrocinnami
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice
Product Description	Product Introduction 2-(4-tert-Butylbenzyl)propionaldehyde is categorized under the synthetic fragrance class of compounds widely utilized in consumer products such as perfumes, after shave lotions, cosmetics, etc. Application 2-(4-tert-Butylbenzyl)propionaldehyde may be used as a reference standard for the determination of 2-(4-tert-butylbenzyl)propionaldehyde in: Human urine samples by ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) equipped with electrospray ionization (ESI) source and multiple reaction monitoring (MRM) mode of detection. Deodorants and air fresheners by sonication extraction coupled with gas chromatography-mass spectrometry (GC-MS). Scented consumer products by GC-MS as well as GC in combination with olfactometry.

Names and Identifiers

Pubchem Sid	504757972
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757972
IUPAC Name	3-(4-tert-butylphenyl)-2-methylpropanal
INCHI	InChI=1S/C14H20O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,10-11H,9H2,1-4H3
InChi Key	SDQFDHOLCGWZPU-UHFFFAOYSA-N
Canonical SMILES	CC(CC1=CC=C(C=C1)C(C)(C)C)C=O
Isomeric SMILES	CC(CC1=CC=C(C=C1)C(C)(C)C)C=O
WGK Germany	3
RTECS	MW4895000
PubChem CID	228987
Molecular Weight	204.31
Beilstein	880140
Reaxy-Rn	880140

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
B2508171	Certificate of Analysis	Feb 17, 2025	L111344
J2229667	Certificate of Analysis	Aug 16, 2024	L111344
J2229688	Certificate of Analysis	Aug 16, 2024	L111344
J2229708	Certificate of Analysis	Aug 16, 2024	L111344
J2229709	Certificate of Analysis	Aug 16, 2024	L111344
J2111322	Certificate of Analysis	Jul 10, 2023	L111344
J2111430	Certificate of Analysis	Jul 10, 2023	L111344
G2119038	Certificate of Analysis	Apr 17, 2023	L111344
H1406013	Certificate of Analysis	Feb 22, 2022	L111344

Chemical and Physical Properties

Sensitivity	air sensitive
Refractive Index	1.5
Flash Point(°F)	235.4 - 237.2 °F
Flash Point(°C)	118 °C
Boil Point(°C)	150°C/10mmHg
Molecular Weight	204.310 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	204.151 Da
Monoisotopic Mass	204.151 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	194.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Safety and Hazards(GHS)

Pictogram(s)	GHS08
Signal	Danger
Hazard Statements
Precautionary Statements	P280:Wear protective gloves/protective clothing/eye protection/face protection. P405:Store locked up. P501:Dispose of contents/container to ... P203:Obtain, read and follow all safety instructions before use. P318:if exposed or concerned, get medical advice.
WGK Germany	3
RTECS	MW4895000
Reaxy-Rn	880140

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Basic Description