Merck
CN
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文件

安全信息

W247006

Sigma-Aldrich

乙酸异丁香酚酯

≥98%, FCC, FG

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别名:
NSC 46121
经验公式（希尔记法）:
C12H14O3
CAS号:
93-29-8
分子量:
206.24
FEMA编号:
2470
EC 号:
202-236-1
欧洲委员会编号:
220
MDL编号:
MFCD00026984
PubChem化学物质编号:
24901118
Flavis编号:
9.030
NACRES:
NA.21

生物来源

synthetic

质量水平

300

等级

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

检测方案

≥98%

组成

contains IFRA restricted Isoeugenol

mp

79-81 °C (lit.)

application(s)

flavors and fragrances

文件

see Safety & Documentation for available documents

食品过敏原

no known allergens

致敏芳香化合物

isoeugenol

性状检查

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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S Tanaka et al.
Contact dermatitis, 51(5-6), 288-291 (2004-12-21)
A total of 2261 (808 male, 1453 female) consecutive patients attending contact dermatitis clinics were patch tested to isoeugenol and its derivatives listed in the EU Inventory of Fragrance Ingredients. Positive reactions were found to isoeugenol in 40, transisoeugenol in
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
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
Fragrance allergen substitution.
J Middleton
Contact dermatitis, 42(4), 249-249 (2000-04-06)
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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