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42890-76-6

42890-76-6 structural image
Product Name: (S)-1,2,4-Butanetriol
Formula: C4H10O3
Synonyms: α-hydroxy stearoyl Coenzyme A (ammonium salt);(S)-(-)-1,2,4-Trihydroxybutane;(2S)-(-)-Butane-1,2,4-triol;1,2-dioleoyl-3-[11-(dipyrrometheneboron difluoride)undecanoyl]-sn-glycerol;1′,3′-bis[1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho]-glycerol, sodium salt
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H331:Acute toxicity,inhalation
H336:Specific target organ toxicity,single exposure; Narcotic effects
H351:Carcinogenicity
H372:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P201:Obtain special instructions before use.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 106.12 g/mol
XLogP3 -1.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 106.062994177 g/mol
Monoisotopic Mass 106.062994177 g/mol
Topological Polar Surface Area 60.7 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 37.9
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-deoxyerythritol is a secondary alcohol.