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About This Item
Linear Formula:
(CH3)2CHCH2COCH3
CAS Number:
Molecular Weight:
100.16
EC Number:
203-550-1
UNSPSC Code:
12352115
PubChem Substance ID:
Beilstein/REAXYS Number:
605399
MDL number:
Assay:
≥99.5%
Bp:
117-118 °C
vapor density
3.5 (vs air)
assay
≥99.5%
form
liquid
autoignition temp.
840 °F
expl. lim.
1.2-8 %, 93 °F
availability
available only in Japan
dilution
(for analytical testing)
refractive index
n20/D 1.395 (lit.)
bp
117-118 °C
mp
−80 °C (lit.)
density
0.801 g/mL at 25 °C (lit.)
suitability
suitable for atomic absorption spectrometry
SMILES string
CC(C)CC(C)=O
InChI
1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
InChI key
NTIZESTWPVYFNL-UHFFFAOYSA-N
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Inhalation - Carc. 2 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
target_organs
Central nervous system
supp_hazards
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
57.2 °F - closed cup
flash_point_c
14 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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H J Shim et al.
Journal of chromatography. B, Biomedical applications, 656(2), 407-414 (1994-06-17)
A high-performance liquid chromatographic method was developed for the simultaneous determination of a new anthracycline, DA-125 (I), and its metabolites (M1, M2, M3, and M4) in rat plasma and urine using fluorescein as an internal standard. Compound I, a prodrug
Ginette Truchon et al.
Journal of occupational and environmental hygiene, 3(3), 137-143 (2006-02-09)
Compartmental and physiologically based toxicokinetic modeling coupled with Monte Carlo simulation were used to quantify the impact of biological variability (physiological, biochemical, and anatomic parameters) on the values of a series of bio-indicators of metal and organic industrial chemical exposures.
Mao Ting et al.
The Science of the total environment, 390(1), 97-108 (2007-11-03)
Volatile organic compounds (VOCs) in the air of Beijing City were measured at the heights of 8, 32, 140 and 280 m on the Beijing 325 m meteorological tower in autumn 2005. Concentrations of fifty-five compounds were determined by quantitative


