Lilestralis - ≥97% , CAS No.80-54-6

CAS: 80-54-6 Cat. No.: L111344 분자식: C14H20O 분자량: 204.31 Beilstein Registry Number: 880140 EC 번호: 201-289-8
주문 가능
GRADE & PURITY ≥97%
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
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
★
Size
USA
독일 (EU)*
Price
Qty
25ml
L111344-25ml
2 재고 있음
—
US$9.90
100ml
L111344-100ml
3 재고 있음
—
US$17.90
500ml
L111344-500ml
주문제작 · 8~12주
US$71.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

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.

Specifications

동의어
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
사양 및 순도
≥97%
보관 조건
Store at 2-8°C,Argon charged
배송
Wet ice
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순수함
≥97%
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504757972
정식 스마일
CC(CC1=CC=C(C=C1)C(C)(C)C)C=O
IUPAC Name
3-(4-tert-butylphenyl)-2-methylpropanal
InChIKey
SDQFDHOLCGWZPU-UHFFFAOYSA-N
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
이성체 SMILES
CC(CC1=CC=C(C=C1)C(C)(C)C)C=O
WGK 독일
3
RTECS
MW4895000
분자량
204.31
Beilstein
880140
Reaxy-Rn
880140
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=880140&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
분류Benzene and substituted derivatives
SubclassPhenylpropanes
Intermediate Tree Nodes Not available
Direct ParentPhenylpropanes
Alternative Parents Organic oxides  Hydrocarbon derivatives  Aldehydes  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenylpropane - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic compound
설명This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A1 Tclin GABA transporter 1 (308 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

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

10 results found

Lot NumberCertificate Type날짜항목
H2603025Certificate of AnalysisAug 06, 2026 L111344
J2111322Certificate of AnalysisApr 03, 2025 L111344
J2111430Certificate of AnalysisApr 03, 2025 L111344
B2508171Certificate of AnalysisFeb 17, 2025 L111344
H1406013Certificate of AnalysisNov 08, 2023 L111344
G2119038Certificate of AnalysisApr 17, 2023 L111344
J2229667Certificate of AnalysisAug 17, 2022 L111344
J2229688Certificate of AnalysisAug 17, 2022 L111344
J2229708Certificate of AnalysisAug 17, 2022 L111344
J2229709Certificate of AnalysisAug 17, 2022 L111344
화학 및 물리적 특성
감도air sensitive
굴절률1.5
발화점(°F)235.4 - 237.2 °F
발화점(°C)118 °C
끓는점(°C)150°C/10mmHg
분자량204.310 g/mol
XLogP33.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass204.151 Da
Monoisotopic Mass204.151 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count15
Formal Charge0
Complexity194.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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리뷰

고객 리뷰

자주 묻는 질문

What is the purity of this product?
This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.
How is this product shipped?
This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 80-54-6, the molecular formula is C14H20O, and the molecular weight is 204.31 g/mol. InChIKey SDQFDHOLCGWZPU-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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