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Merck
CN

66010

Hydroxycitronellal

analytical standard

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About This Item

Empirical Formula (Hill Notation):
C10H20O2
CAS Number:
Molecular Weight:
172.26
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
85151701
EC Number:
203-518-7
MDL number:
Technical Service
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grade

analytical standard

Quality Level

assay

≥94.0% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.447-1.450, n20/D 1.448 (lit.)

bp

257 °C (lit.)

density

0.923 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

storage temp.

2-8°C

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

General description

Hydroxycitronellal belongs to a broad range of flavor and fragrance standards for quality control of food and cosmetic products provided by Sigma-Aldrich. It is reported as a sensitizing fragrance allergen found in many products. Hydroxycitronella is commonly used in the cosmetic industry to neutralize unpleasant odors that may be present in the chemicals, to enhance the individuality and appeal of products, fragranced cosmetics including aftershaves, eye-creams, etc.
Hydroxycitronellal is a synthetic fragrance material used in perfumes. It can be prepared from citronellal either by hydration of citronellal bisulfite or by hydrolysis with sulphuric acid and alkali.

Application

Hydroxycitronellal has been used as an analytical reference standard for the quantification of the analyte in fragrance samples using flow modulation comprehensive 2D GC/MS (FM GCxGC/MS) method.
It may also be used as an analytical reference standard for the quantification of the analyte in the following:
  • Fragrances using comprehensive two-dimensional gas chromatography coupled with rapid scanning quadrupole mass spectrometry (GC × GC-qMS).
  • Wastewater treatment plants (WWTPs) using gas chromatography-mass spectrometry (GC-MS).

It was used as reference standard for the validation of fragrance allergens in cosmetic products using solid-phase microextraction method (SPME) - gas chromatography coupled with flame ionization detector (GC–FID).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.


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Warning

Hazard Classifications

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

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter



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Identification, quantitation and method validation for the analysis of suspected allergens in fragrances by comprehensive two-dimensional gas chromatography coupled with quadrupole mass spectrometry and with flame ionization detection
Cordero C, et al.
Journal of Chromatography A, 1150(1-2), 37-49 (2007)
Dictionary of Contact Allergens, 2357-2471 (2019)
Synthesis of hydroxycitronellal. Hydration and subsequent hydrolysis of imines, enamines, or oxazolidines prepared from citronellal and amines.
Ishino, Ritsuko, and Ju Kumanotani
The Journal of Organic Chemistry, 39.1, 108-111 null



Global Trade Item Number

SKUGTIN
66010-1ML04061832733951