CAS 4358-64-9 1,4-Anhydroerythritol (HCID 641773)

Names & identifiers

Preferred name: 1,4-Anhydroerythritol
IUPAC: (3R,4S)-oxolane-3,4-diol
English name: 1,4-Anhydroerythritol
Molecular formula: C4H8O3
Molecular weight: 104.1

Names & synonyms

1,4-AnhydroerythritolRefChem:3397414358-64-9cis-Tetrahydrofuran-3,4-diol(3R,4S)-tetrahydrofuran-3,4-diolErythritan(3R,4S)-oxolane-3,4-diol1,4-Anhydro-D-erythritolMFCD00075210cis-3,4-DihydroxytetrahydrofuranSCHEMBL196429(3R, 4S)-tetrahydrofuran-3,4-diol

Show more names

L-THREITANCPD0058-SMMeso-3,4-Dihydroxolane-3,4-diolanhydroerythritol4-Anhydroerythritol

AKOS016011113(3~{S},4~{R})-oxolane-3,4-diolAS-33974(3S,4R)-Tetrahydrofuran-3,4-diolCS-0049648IJ8cis-Oxolane-3,4-diolcis-3,4-Dihydroxyoxolane

Database identifiers

CAS: 4358-64-9
PubChem CID: 641773
DTXSID: DTXSID401318325
EC Number: 224-433-1
Nikkaji: J205.737I

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 56

Physicochemical properties

Melting point: 173 · 173-174 °C
Boiling point: 160 · 160-165 °C(Press: 0.17 Torr)
Density: 1.27 g/mL · 1.27 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.477(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
form: powder to lump to clear liquid
pka: 13.66 · 13.66±0.40(Predicted)
color: White or Colorless to Almost white or Almost colorless
InChI: InChI=1/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+
InChIKey: SSYDTHANSGMJTP-ZXZARUISNA-N
SMILES: O1C[C@H](O)[C@H](O)C1 |&1:2,4,r|
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
PPE: Eyeshields, Gloves
WGK Germany: 3 · 3
HS Code: 2932190090 · 2932190090
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；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

Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
hs_code: 2932190090
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 10 - Combustible liquids
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications · 3 items

Uses1,4-Anhydroerythritol is a tetrahydrofuran derivative used as a heterocyclic building block in epoxy resins and other polymers. 1,4-Anhydroerythritol is also used in the preparation of nucleotide anal ogs as potential antiviral and anticancer agents.

Uses1,4-Anhydroerythritol was employed in a key step in the synthesis of glucopyranoside-based analogs of adenophostin A lacking the adenine component.

General Description1,4-Anhydroerythritol is a cyclic vicinal diol. 1,4-Anhydroerythritol undergoes hydrodeoxygenation over tungsten oxide-palladium catalysts to yield 3-hydroxytetrahydrofuran.