CAS 598-32-3 3-Buten-2-ol (HCID 11716)

Names & identifiers

Preferred name: 3-Buten-2-ol
IUPAC: but-3-en-2-ol
English name: 3-BUTEN-2-OL
Molecular formula: C4H8O
Molecular weight: 72.11

Names & synonyms

3-BUTEN-2-OL598-32-3but-3-en-2-olMethyl vinylcarbinol3-Butene-2-ol3-Hydroxy-1-buteneMethyl vinyl carbinolPropenol, 1-methyl1-Methyl-2-propenol1-Methylallyl alcoholalpha-Methylallyl alcoholEINECS 209-929-8

Show more names

1-BUTEN-3-OL3-Buten-2-ol,97%SKL065CH2=CHCH(OH)CH33-Buten-2-ol,99%3-Buten-2-ol,98%3-Buten-2-ol 97%

NSC 17481BRN 1361410AI3-28424DTXSID008622663-01-00-01892 (Beilstein Handbook Reference)3Hydroxy1butene1Methyl2propenol3Butene2ol

Database identifiers

CAS: 598-32-3
PubChem CID: 11716
DTXSID: DTXSID00862266
EC Number: 209-929-8
Nikkaji: J513D

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 32

Physicochemical properties

Melting point: -100 °C · -100 °C
Boiling point: 96 · 96-97 °C (lit.)
Density: 0.832 g/mL · 0.832 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.415(lit.)
FLAVIS Number: 2.131 · 02.131 | But-3-en-2-ol
Flash point: 62 °F · 62 °F
storage temp.: Flammables area
solubility: Chloroform, Methanol (Sparingly)
form: Liquid
pka: 14.49 · 14.49±0.20(Predicted)
color: Clear colorless
Specific Gravity: 0.838 · 0.838
Water Solubility: Fully miscible with water.
BRN: 1361410 · 1361410
InChI: 1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3
InChIKey: MKUWVMRNQOOSAT-UHFFFAOYSA-N
SMILES: CC(O)C=C
LogP: 0.481 · 0.481 (est)
CAS DataBase Reference: 598 · 598-32-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 3 · 3-Buten-2-ol (598-32-3)
UNSPSC Code: 85151701 · 85151701
NACRES: 24 · NA.24
Symbol(GHS): 2 · GHS02,GHS09
Signal word: Danger
Hazard statements: 225 · H225-H411
Precautionary statements: 210 · P210-P233-P240-P241-P242-P273
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xn,Xi
Risk Statements: 11 · 11-20-36/37/38
Safety Statements: 16 · 16-26-36-33-7/9
RIDADR: 1987 · UN 1987 3/PG 2
WGK Germany: 3 · 3
RTECS: 9275050 · EM9275050
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29052900 · 29052900
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Aquatic Chronic 2Flam. Liq. 2
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: EM9275050
ridadr: UN 1987 3/PG 2
hs_code: 29052900
risk_code: 11-20-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS09
hazard_code: F,Xn,Xi
safety_code: 16-26-36-33-7/9
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225-H411
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Aquatic Chronic 2Flam. Liq. 2
Precautionary statements: P210-P233-P240-P241-P242-P273

Chemistry & industry

Applications · 3 items

UsesIt is an important raw material and intermediate used in organic synthesis, agrochemical, pharmaceutical and dyestuff field.

Uses3-Buten-2-ol is a useful compound in organic synthesis.

General Description3-Buten-2-ol is a flavor and fragrance standard provided by Sigma-Aldrich. Flavors and fragrances are widely used to add taste and/or smell to products without aroma, to mask unpleasant odors and to maintain stability of original flavor.