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About This Item
Linear Formula:
(CH3)2C=CHCHO
CAS Number:
Molecular Weight:
84.12
Flavis number:
05.124
PubChem Substance ID:
UNSPSC Code:
12164502
FEMA Number:
3646
NACRES:
NA.21
EC Number:
203-527-6
MDL number:
Beilstein/REAXYS Number:
1734740
Organoleptic:
cherry; fruity; nutty; sweet
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines
Food allergen:
no known allergens
biological source
synthetic
Quality Segment
grade
FG, Fragrance grade, Halal, Kosher
agency
follows IFRA guidelines
reg. compliance
EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002
vapor pressure
7 mmHg ( 20 °C)
assay
≥96%
refractive index
n
bp
133-135 °C (lit.)
density
0.878 g/mL at 20 °C, 0.872 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
no known allergens
organoleptic
cherry; fruity; nutty; sweet
storage temp.
2-8°C
SMILES string
[H]C(=O)\C=C(\C)C
InChI
1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
InChI key
SEPQTYODOKLVSB-UHFFFAOYSA-N
Application
- Study on the reaction of 3-methyl-2-butenal and 3-methylbutanal with Cl atoms: kinetics and reaction mechanism.: Focuses on the kinetics and mechanisms of reactions between 3-methyl-2-butenal and chlorine atoms, which are crucial for understanding its stability and reactivity in environmental contexts (Shi et al., 2022).
Signal Word
Danger
Hazard Codes
Precautionary Statements
Hazard Classifications
Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B - Skin Sens. 1
Storage Class
3 - Flammable liquids
Flash Point (°F)
91.4 °F - closed cup
Flash Point (°C)
33 °C - closed cup
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