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About This Item
Linear Formula:
CH3CH2CH2CH(CH3)CHO
CAS Number:
Molecular Weight:
100.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
204-605-2
Beilstein/REAXYS Number:
1739423
MDL number:
Assay:
98%
Form:
liquid
InChI key
FTZILAQGHINQQR-UHFFFAOYSA-N
InChI
1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3
SMILES string
CCCC(C)C=O
vapor density
3.45 (vs air)
assay
98%
form
liquid
autoignition temp.
390 °F
Quality Level
bp
119-120 °C (lit.)
density
0.808 g/mL at 25 °C (lit.)
functional group
aldehyde
Related Categories
General description
Cross-aldol condensation reaction of 2-methylpentanal with propanal to form 2,4-dimethylhept-2-enal has been investigated. Oxidation of 2-methylpentanal with azidotrimetlzylsilane and chromic anhydride in CH2Cl2 has been investigated.
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
60.8 °F - closed cup
flash_point_c
16 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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Oxidation of aldehydes to acyl azides by chromic anhydride-azidotrimethylsilane.
Lee JG and Kwak KH.
Tetrahedron Letters, 33(22), 3165-3166 (1992)
Sajjad Ahmad et al.
Drug design, development and therapy, 15, 1299-1313 (2021-04-02)
Organocatalytic asymmetric Michael addition is a strong approach for C-C bond formation. The objective of the study is to design molecules by exploiting the efficiency of Michael Adducts. We proceeded with the synthesis of Michael adducts by tailoring the substitution
Valentina Innamorato et al.
Food chemistry, 315, 126247-126247 (2020-02-02)
Three non-targeted methods, i.e. 1H NMR, LC-HRMS, and HS-SPME/MS-eNose, combined with chemometrics, were used to classify two table grape cultivars (Italia and Victoria) based on five quality levels (5, 4, 3, 2, 1). Grapes at marketable quality levels (5, 4
Christian P Mehnert et al.
Chemical communications (Cambridge, England), (15), 1610-1611 (2002-08-13)
C9-aldehyde has been prepared via aldol condensation reactions in ionic liquid media; catalyst investigation showed enhanced product selectivity for the desired aldehyde in ionic liquid media than in conventional solvent systems.
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