D-1,4-Dithiothreitol (HCID 446094)

Names & identifiers

Preferred name: D-1,4-Dithiothreitol
IUPAC: (2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol
English name: L-DITHIOTHREITOL
Molecular formula: C4H10O2S2
Molecular weight: 154.25

Names & synonyms

(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOLD-1,4-DithiothreitolD-Dtt(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diolCHEBI:42170RefChem:937663GlyTouCan:G52301ZXG52301ZXDL-1,4-Dithiothreitoldl-Dithiothreitol27565-41-9(2S,3S)-1,4-disulfanylbutane-2,3-diol

Show more names

1,4-DITHIO-L-THREITOLL-DTTClelandsDTT (L-ISOMER)L-DITHIOTHREITOLDITHIOTHREITOL, L-L-CLELAND'S REAGENTL-1,4-DITHIOTHREITOLL-Dithiothreitol >DITHIOTHREITOL, L-(RG)

1,4-Dithio-dl-threitol35454-97-8MFCD00004877cis-2,3-Dihydroxy-1,4-butanedithiolDTT(+/-)-1,4-Dimercapto-2,3-butanediolDL-Dithiothreitol(DTT)M02712

Database identifiers

CAS: 16096-97-2、27565-41-9、3483-12-3
PubChem CID: 446094
DTXSID: DTXSID5041017
ChEMBL: CHEMBL1232392、CHEMBL47903
ChEBI: CHEBI:42170
EC Number: 248-531-9
Nikkaji: J64.633D

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 52

Experimental & physicochemical properties

Physical DescriptionWhite powder with an unpleasant odor; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 51 °C · 51 °C
Boiling point: 247.65 °C · 247.65°C (rough estimate)
Density: 1.156 · 1.156 (estimate)
refractive index: 26 ° · 26 ° (C=2.5, MeOH)
Flash point: 110 °C · 110 °C
storage temp.: -20 °C · -20°C
solubility: 2 O: · H2O: soluble50mg/mL, clear to hazy, colorless
form: solid
pka: 9.28 · 9.28±0.10(Predicted)
color: White to Almost white
Water Solubility: 2 O: · H2O: 50mg/mL, clear to hazy, colorless
BRN: 2036371 · 2036371
InChI: 1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1
InChIKey: VHJLVAABSRFDPM-IMJSIDKUSA-N
SMILES: O[C@@H](CS)[C@@H](O)CS
CAS DataBase Reference: 16096 · 16096-97-2(CAS DataBase Reference)
UNSPSC Code: 12352201 · 12352201
NACRES: 25 · NA.25
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H412
Precautionary statements: 273 · P273-P301+P312+P330
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 21 · 21/22-36/37/38
Safety Statements: 26 · 26-36/37
RIDADR: 3335 · UN 3335
WGK Germany: 3 · 3
RTECS: 1612000 · EK1612000
F: 10 · 10-13-23
HS Code: 2930.9 · 2930.90.9250
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 3

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazards Summary · 1 item

Causes change in righting reflex and alteration of operant conditioning in acute intraperitoneal studies of rats; Intraperitoneal LD50 (mouse) = 169 mg/kg; [RTECS] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See 1,4-Dithiothreitol.

Hazard Classes and Categories · 2 items

Acute Tox. 4 (98.1%)；Skin Irrit. 2 (91.5%)；Eye Irrit. 2 (91.5%)；STOT SE 3 (90.6%)

Acute Tox. 4 (97.5%)；Acute Tox. 4 (95%)；Skin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；STOT SE 3 (95%)

Toxicology

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Safety data

F: 10-13-23
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: EK1612000
ridadr: UN 3335
hs_code: 2930.90.9250
risk_code: 21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36/37
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H412
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3
Precautionary statements: P273-P301+P312+P330

Chemistry & industry

Applications · 1 item

UsesL-DTT [(2R,3R)-1,4-dimercapto-2,3-butanediol; L-dithiothreitol], a chiral bidentate dithiol with two stereogenic centers, may be used in chiroptical response research. L-DDT is proposed as a stereoselective reducing agent for disulfide bridges in complex molecules.