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

≥97%

CAS#: 80-54-6
Formula: C₁₄H₂₀O
Molecular Weight: 204.31
Beilstein Registry Number: 880140
EC Number: 201-289-8
MDL number: MFCD00047655
PubChem CID: 228987

Item Number

L111344

Grouped product items
SKU	Size	Availability	Price
L111344-25ml	25ml	In stock	$21.90
L111344-100ml	100ml	In stock	$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

View related series

aldehyde Carbonyl compound

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.

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

RORC Tchem Nuclear receptor ROR-gamma (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLC6A1 Tclin Sodium- and chloride-dependent GABA transporter 1 (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TSHR Tclin Thyrotropin receptor (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AR Tclin Androgen receptor (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

THRB Tclin Thyroid hormone receptor beta (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TP53 Tchem Cellular tumor antigen p53 (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

OR5K1 Tdark Olfactory receptor 5K1 (0 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NFE2L2 Tchem Nuclear factor erythroid 2-related factor 2 (0 Activities)

Discover Target: NFE2L2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

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

Certificate of Analysis(COA)

Enter Lot Number to search for COA:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
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

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

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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