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W274305

Sigma-Aldrich

2-Methyl-3-(p-isopropylphenyl)propionaldehyde

≥95%, FCC, FG

Synonym(s):

Cyclamen aldehyde

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About This Item

Linear Formula:
(CH3)2CHC6H4CH2CH(CH3)CHO
CAS Number:
103-95-7
Molecular Weight:
190.28
FEMA Number:
2743
EC Number:
203-161-7
Council of Europe no.:
133
MDL number:
MFCD00024160
UNSPSC Code:
12164502
PubChem Substance ID:
24901301
Flavis number:
5.045
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Halal
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 872/2012
FCC
FDA 21 CFR 172.515

Assay

≥95%

refractive index

n20/D 1.505 (lit.)

bp

270 °C (lit.)

density

0.95 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

green; floral

SMILES string

CC(C)c1ccc(CC(C)C=O)cc1

InChI

1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3

InChI key

ZFNVDHOSLNRHNN-UHFFFAOYSA-N

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H317,H412

Hazard Classifications

Aquatic Chronic 3 - Skin Irrit. 2 - Skin Sens. 1B

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

228.2 °F - closed cup

Flash Point(C)

109 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS3300
SHBP3149
SHBN0787
SHBL7554
MKCJ2600

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Byeol-I Han et al.
Regulatory toxicology and pharmacology : RTP, 107, 104401-104401 (2019-06-04)
The local lymph node assay using 5-bromo-2-deoxyuridine with flow cytometry (LLNA: BrdU-FCM) is a modified LLNA used to identify skin sensitizers. This assay measures the proliferation of auricular lymph node cells (LNCs) during the induction phase of skin sensitization and
C A Mini et al.
Toxicology in vitro : an international journal published in association with BIBRA, 71, 105069-105069 (2020-12-15)
Three-dimensional skin models, also named 3D skin models, human skin equivalents (HSEs), or Human Epidermal Equivalents (HEEs), have been increasingly used for chemical assessments in terms of efficacy and safety. Considering this, we developed an HEE model using immortalized HaCaT
Fenxia Hou et al.
ALTEX, 37(3), 451-468 (2020-04-24)
There are currently no skin sensitization assays based on T cell activation. We built a novel in vitro model to assess T cell activation and test its performance to discriminate skin sensitizers from non-sensitizers using 52 reference chemicals. Jurkat Clone
Masaharu Fujita et al.
Journal of applied toxicology : JAT, 39(2), 191-208 (2018-09-18)
The amino acid derivative reactivity assay (ADRA) is an in chemico alternative to animal testing for skin sensitization that solves certain problems found in the use of the direct peptide reactivity assay (DPRA). During a recent validation study conducted at

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