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About This Item
Linear Formula:
CH3CH(OH)CO2CH2CH(CH3)2
CAS Number:
Molecular Weight:
146.18
UNSPSC Code:
12352108
NACRES:
NA.22
PubChem Substance ID:
EC Number:
407-770-0
Beilstein/REAXYS Number:
1721591
MDL number:
Assay:
97%
Form:
liquid
assay
97%
form
liquid
optical activity
[α]19/D +15°, neat
refractive index
n20/D 1.419 (lit.)
bp
73 °C/13 mmHg (lit.)
density
0.971 g/mL at 25 °C (lit.)
functional group
ester, hydroxyl
SMILES string
CC(C)COC(=O)[C@@H](C)O
InChI
1S/C7H14O3/c1-5(2)4-10-7(9)6(3)8/h5-6,8H,4H2,1-3H3/t6-/m1/s1
InChI key
WBPAQKQBUKYCJS-ZCFIWIBFSA-N
Other Notes
remainder mainly isobutanol
Hazard Classifications
Eye Irrit. 2
pcodes
signalword
Warning
hcodes
Storage Class
10 - Combustible liquids
wgk
WGK 1
flash_point_f
152.6 °F - closed cup
flash_point_c
67 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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