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W258318

Sigma-Aldrich

Hydroxycitronellal

≥95%, FCC, FG

Synonym(s):

7-Hydroxy-3,7-dimethyl-octanal

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About This Item

Empirical Formula (Hill Notation):
C10H20O2
CAS Number:
107-75-5
Molecular Weight:
172.26
FEMA Number:
2583
EC Number:
203-518-7
Council of Europe no.:
100
MDL number:
MFCD00014681
UNSPSC Code:
12164502
PubChem Substance ID:
24901168
Flavis number:
5.012
NACRES:
NA.21

biological source

synthetic

grade

FG
Fragrance grade
Halal

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

Assay

≥95%

composition

contains IFRA and EU 1223/2009 restricted Hydroxycitronellal

refractive index

n20/D 1.448 (lit.)

bp

257 °C (lit.)

density

0.923 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

hydroxycitronellal

Organoleptic

green; melon; floral; sweet

SMILES string

[H]C(=O)CC(C)CCCC(C)(C)O

InChI

1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3

InChI key

WPFVBOQKRVRMJB-UHFFFAOYSA-N

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General description

Hydroxycitronellal is an odorant generally used in cosmetics, washing- and cleaning agents and also as a flavoring agent for foods.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H317,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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A validated UPLC?MS/MS method for biomonitoring the exposure to the fragrance 7-hydroxycitronellal.
Stoeckelhuber M, et al.
Journal of Chromatography. B, Biomedical Sciences and Applications, 1068, 261-267 (2017)
B Kreilgård et al.
Journal of the American Academy of Dermatology, 21(4 Pt 2), 836-838 (1989-10-01)
The choice of vehicle for patch test materials is important for the bioavailability and stability of the allergens. Examples are given from the standardization of the TRUE Test and include caine mix, Kathon CG, and fragrance mix.
S Heydorn et al.
Contact dermatitis, 48(6), 324-330 (2003-10-09)
Recently, we showed that 10 x 2% of consecutively patch-tested hand eczema patients had a positive patch test to a selection of fragrances containing fragrances relevant to hand exposure. In this study, we used repeated skin exposure to a patch
Susan P Felter et al.
Regulatory toxicology and pharmacology : RTP, 37(1), 1-10 (2003-03-29)
The National Academy of Science (NAS) risk assessment paradigm has been widely accepted as a framework for estimating risk from exposure to environmental chemicals (NAS, 1983). Within this framework, quantitative risk assessments (QRAs) serve as the cornerstone of health-based exposure
M Cluzel-Tailhardat et al.
Toxicology letters, 174(1-3), 98-109 (2007-10-16)
A critical step in the induction of allergic contact dermatitis is the interaction of haptens with immature dendritic cells (iDC) leading to their activation. Therefore iDC appear as suitable targets for the evaluation of the sensitizing properties of haptens with
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