1,4-Butanediol

1,4-Butanediol
Names
Preferred IUPAC name
Butane-1,4-diol
Other names
Tetramethylene glycol
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
DrugBank
ECHA InfoCard 100.003.443 Edit this at Wikidata
EC Number
  • 203-786-5
RTECS number
  • EK0525000
UNII
  • InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2 checkY
    Key: WERYXYBDKMZEQL-UHFFFAOYSA-N checkY
  • InChI=1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
  • OCCCCO
  • C(CCO)CO
Properties[1][2]
C4H10O2
Molar mass 90.122 g·mol−1
Density 1.0171 g/cm3 (20 °C)
Melting point 20.1 °C (68.2 °F; 293.2 K)
Boiling point 235 °C (455 °F; 508 K)
Miscible
Solubility in ethanol Soluble
-61.5·10−6 cm3/mol
1.4460 (20 °C)
Hazards[3][4]
GHS labelling:
Acute Tox. (oral) 4
Warning
H302, H336
P261, P264, P270, P271, P301+P312, P304+P340, P312, P330, P403+P233, P405, P501
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 1: Exposure would cause irritation but only minor residual injury. E.g. turpentineFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
1
1
0
Flash point (open cup) 121 °C (250 °F; 394 K)
350 °C (662 °F; 623 K)
Related compounds
Related butanediols
1,2-Butanediol
1,3-Butanediol
2,3-Butanediol
cis-Butene-1,4-diol
Related compounds
Succinaldehyde
Succinic acid
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
checkY verify (what is checkY☒N ?)

1,4-Butanediol, also called Butane-1,4-diol (other names include 1,4-B, BD, BDO and 1,4-BD),[5] is a primary alcohol and an organic compound with the formula HOCH2CH2CH2CH2OH. It is a colorless viscous liquid first synthesized in 1890 via acidic hydrolysis of N,N'-dinitro-1,4-butanediamine by Dutch chemist Pieter Johannes Dekkers, who called it "tetramethylene glycol".[6][7]

  1. ^ Weast, Robert C., ed. (1981), CRC Handbook of Chemistry and Physics (62nd ed.), Boca Raton, FL: CRC Press, p. C-190, ISBN 0-8493-0462-8
  2. ^ 1,4-Butanediol, International Chemical Safety Card 1104, Geneva: International Programme on Chemical Safety, March 1999
  3. ^ HSNO Chemical Classification Information Database, New Zealand Environmental Protection Authority
  4. ^ "1,4-Butanediol Laboratory Chemical Safety Summary"
  5. ^ "1,4-Butanediol - Uses, Side Effects, and More". WebMD. Retrieved 31 March 2024.
  6. ^ Dekkers, M. P. J. (January 1890). "Le glycol tétraméthylénique". Recueil des Travaux Chimiques des Pays-Bas. 9 (4): 92–102. doi:10.1002/recl.18900090403. ISSN 0165-0513.
  7. ^ Dekkers, Pieter Johannes (1890). Over het Tetramethyleenglycol: Proefschr. ... te verdedigen ... door Pieter Johannes Dekkers (in Dutch). L. van Nifterik Hz.

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