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W247006

Sigma-Aldrich

Isoeugenyl acetate

≥98%, FCC, FG

Synonym(s):

NSC 46121

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About This Item

Empirical Formula (Hill Notation):
C12H14O3
CAS Number:
93-29-8
Molecular Weight:
206.24
FEMA Number:
2470
EC Number:
202-236-1
Council of Europe no.:
220
MDL number:
MFCD00026984
UNSPSC Code:
12164502
PubChem Substance ID:
24901118
Flavis number:
9.030
NACRES:
NA.21

biological source

synthetic

grade

FG
Fragrance grade
Halal
Kosher

agency

follows IFRA guidelines

reg. compliance

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

assay

≥98%

composition

contains IFRA restricted Isoeugenol

mp

79-81 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

isoeugenol

organoleptic

carnation; floral; spicy; sweet

SMILES string

COc1cc(\C=C\C)ccc1OC(C)=O

InChI

1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+

InChI key

IUSBVFZKQJGVEP-SNAWJCMRSA-N

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Storage Class

11 - Combustible Solids

wgk_germany

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCD4301
MKBK3289V
17496AJ
45896PH
09307JU

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I R White et al.
Contact dermatitis, 41(5), 272-275 (1999-12-20)
The prevalence of contact allergy to the fragrance mix in individuals with eczema is up to 10%. Within the mix, isoeugenol (CAS 97-54-1) is an important individual allergen. Until May 1998, the IFRA (International Fragrance Association) guidelines suggested that isoeugenol
Fragrance allergen substitution.
J Middleton
Contact dermatitis, 42(4), 249-249 (2000-04-06)
R ten Have et al.
The Biochemical journal, 347(Pt 2), 585-591 (2000-04-06)
Lignin peroxidase (LiP) has been used to study the C(alpha)-C(beta) cleavage of the propylene side chain in 1-(3',4'-dimethoxyphenyl)propene (DMPP) to 3,4-dimethoxybenzaldehyde (veratraldehyde, VAD). Under an air atmosphere, LiP oxidized DMPP to VAD (27.8%) and 1-(3',4'-dimethoxyphenyl)propan-2-one (DMPA, 8.7%), after 10 min
R ten Have et al.
European journal of biochemistry, 265(3), 1008-1014 (1999-10-16)
The mechanism of the veratryl alcohol (VA)-mediated oxidation of isoeugenyl acetate (IEA) by lignin peroxidase, and the subsequent spontaneous Calpha-Cbeta cleavage of IEA to vanillyl acetate were studied. IEA oxidation only occurred in the presence of VA. It probably did
Suresh Chandra Rastogi et al.
Contact dermatitis, 58(5), 278-281 (2008-04-18)
Isoeugenol, an important fragrance allergen in consumers, has been restricted to 200 p.p.m. since 1998 according to guidelines issued by the fragrance industry. However, no decline in contact allergy to isoeugnol has been detected. It has been speculated that isoeugenol
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