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Merck
CN

W258318

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
Council of Europe no.:
100
UNSPSC Code:
12164502
PubChem Substance ID:
24901168
Flavis number:
5.012
EC Number:
203-518-7
NACRES:
NA.21
MDL number:
MFCD00014681
Organoleptic:
green; melon; floral; sweet
Grade:
FG
Fragrance grade
Halal
Biological source:
synthetic
Agency:
follows IFRA guidelines
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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Product Name

Hydroxycitronellal, ≥95%, FCC, FG

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

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

Quality Level

300
400

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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

signalword

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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Certificates of Analysis (COA)

Lot/Batch Number
SHBT4243
SHBP6754
SHBN9224
STBK0227
SHBL1545

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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)
S Sieben et al.
Toxicology and applied pharmacology, 172(3), 172-178 (2001-04-21)
Fragrances are worldwide a major cause of allergic contact dermatitis (ACD), a delayed-type hypersensitivity reaction mediated by T lymphocytes. We investigated T cell responses to fragrances using peripheral blood mononuclear cells (PBMC) and T cells from skin lesions of fragrance-allergic
Fabien Merckel et al.
Chemical research in toxicology, 23(9), 1433-1441 (2010-08-28)
In chemico methods, based on the assessment of hapten reactivity toward peptides, have been proposed as alternative methods for the assessment of the skin sensitizing potential of chemicals. However, even if these approaches seem very promising, a major drawback inherent
Clarissa D Villarama et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 42(11), 1719-1725 (2004-09-08)
The clinical relevance of patch test reactions is often difficult to determine. Use tests have been developed to further evaluate the significance of patch test results. We review studies that have defined correlations between the threshold concentrations at patch testing
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
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