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线性分子式:
CH3OC6H4CH2CH2COCH3
化学文摘社编号:
分子量:
178.23
NACRES:
NA.21
Flavis number:
7.029
UNSPSC Code:
12164502
FEMA Number:
2672
MDL number:
Beilstein/REAXYS Number:
1869592
Organoleptic:
fruity; floral; raspberry; sweet
Grade:
FG, Kosher, natural
Biological source:
botanical
Food allergen:
no known allergens
biological source
botanical
Quality Level
grade
FG, Kosher, natural
reg. compliance
EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 117
assay
≥96%
refractive index
n20/D 1.519 (lit.)
bp
152-153 °C/15 mmHg (lit.)
mp
8 °C (lit.)
density
1.046 g/mL at 25 °C (lit.)
documentation
see Safety & Documentation for available documents
food allergen
no known allergens
organoleptic
fruity; floral; raspberry; sweet
SMILES string
COc1ccc(CCC(C)=O)cc1
InChI
1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
InChI key
PCBSXBYCASFXTM-UHFFFAOYSA-N
Other Notes
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存储类别
10 - Combustible liquids
wgk
WGK 2
flash_point_f
Not applicable
flash_point_c
Not applicable