The National Transportation Safety Board says the bottle got stuck between the brake and accelerator pedals of the Dhalia Charter bus.
A rattling noise can be heard on audio from inside the bus.
Video shows it traveling twice the speed limit and slamming into a Q20 MTA bus in Flushing.
Investigators say the driver did not act improperly.
He was killed in the crash, along with one of the passengers and a pedestrian.
Seventeen others were injured.