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100502-66-7

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100502-66-7 Structure

100502-66-7 Structure
IdentificationBack Directory
[Name]

3-(nitrooxy)propane-1-ol
[CAS]

100502-66-7
[Synonyms]

3-NOP
Abrucomstat
3-Nitroxypropanol
3-(nitrooxy)propane-1-ol
1,3-Propanediol, 1-nitrate
1,3-Propanediol, mononitrate
[EINECS(EC#)]

695-997-8
[Molecular Formula]

C3H7NO4
[MDL Number]

MFCD31731012
[MOL File]

100502-66-7.mol
[Molecular Weight]

121.09
Chemical PropertiesBack Directory
[Boiling point ]

136.7±13.0 °C(Predicted)
[density ]

1.278±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[form ]

Liquid
[pka]

14.65±0.10(Predicted)
[color ]

Colorless to light yellow
[Henry's Law Constant]

2.8×101 mol/(m3Pa) at 25℃, Wang et al. (2017)
Safety DataBack Directory
[Symbol(GHS) ]

Flame Over Circle (GHS03)
GHS03
[Signal word ]

Danger
[Hazard statements ]

H242
[Precautionary statements ]

P210-P220-P234-P280-P370+P378-P403+P235-P411-P420-P501
Hazard InformationBack Directory
[Uses]

3-Nitroxypropanol is a crop additive that can minimize methane production from cattle. This may reduce the production of greenhouse gas emissions globally.
[in vivo]

Abrucomstat (150 mg/kg, p.o., 4-48 h) decreases ruminal methanogenesis and increases dissolved H2 concentration in beef cattle[1].
Abrucomstat (3 mg/kg, i.g., daily, 14 weeks) reduces methane emissions in calves[2].

Spectrum DetailBack Directory
[Spectrum Detail]

3-(nitrooxy)propane-1-ol(100502-66-7)1HNMR
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