1-Pentene

Athanor · official

C₅H₁₀ · 70.13 g/mol

IUPAC name: pent-1-ene

Reagents

Open in Athanor

Drawn from its SMILES with RDKit

DangerExtremely flammable liquid and vapor · May be fatal if swallowed and enters airways · Causes skin irritation · Causes serious eye irritation · Harmful to aquatic life with long lasting effects

Names and identifiers

IUPAC name: pent-1-ene
Synonyms: Pent-1-ene, Propylethylene, alpha-Amylene
+ 34 more
alpha-n-Amylene, 1-Pentylene, DTXSID7025849, ALP8M0LU81, DTXCID905849, RefChem:907793, 203-694-5, .alpha.-n-Amylene, Pentene-1, MFCD00003567, 1-Amylene, 1-n-Pentene, HSDB 1086, EINECS 203-694-5, UNII-ALP8M0LU81, pent-4-ene-1, 1-Pentene 95, 1-Pentene, 98%, 1-PENTENE [HSDB], 1-PENTENE [MI], EC 203-694-5, SCHEMBL7039, SCHEMBL7040, SCHEMBL7122, SCHEMBL7284, PENTENE, 1-N-, SCHEMBL18689, SCHEMBL19655, SCHEMBL105142, SCHEMBL284753, SCHEMBL312954, SCHEMBL998074, 1-Pentene, analytical standard, 1-PENTENE, 99%
Molecular formula: C₅H₁₀
Empirical formula: CH₂
Molecular weight: 70.13 g/mol
Exact mass: 70.07825
CAS number: 109-67-1
PubChem CID: 8004
Canonical SMILES: CCCC=C
Isomeric SMILES: CCCC=C
InChI: InChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3
InChIKey: YWAKXRMUMFPDSH-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Appearance: Colorless liquid[3]
3 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– 1-pentene is a colorless liquid with an odor of gasoline. Flash point -20 °F (Aldrich). Insoluble in water and less dense than water. Hence floats on water. Flammable vapor is produced. Boiling point 86 °F. (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
– Liquid [2] EPA Chemical Data Reporting (CDR)
–shown Colorless liquid [3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 882
Odor: HIGHLY DISAGREEABLE[3]
Melting point: -165.2 °C[4]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
−165 °C -265 °F (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
−165.2 °Cshown -165.2 °C [4] PAC Chemical Database, U.S. Department of Energy
Boiling point: 29.9 °C @760 [mmHg][4]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
29.9 °C 85.8 °F at 760 mmHg (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
29.9 °Cshown 29.9 °C @760 [mm Hg] [4] PAC Chemical Database, U.S. Department of Energy
Density: 0.6405 @ 20°C[4]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– 0.641 at 68 °F (USCG, 1999) - Less dense than water [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–shown 0.6405 @ 20°C [4] PAC Chemical Database, U.S. Department of Energy
Solubility in water: In water, 148 mg/l @ 25 °C[3]
Vapor pressure: 635 mmHg @ 25 °C[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
635 mmHgshown 635 mm Hg @ 25 °C [3] Hazardous Substances Data Bank (HSDB)cites Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)
635 mmHg 635 [mm Hg] @25 °C [4] PAC Chemical Database, U.S. Department of Energy
Flash point: -18 °C OC (from table)[3]
2 values
Sources disagree; from Hazardous Substances Data Bank (HSDB), the most authoritative.
Value As written Source
−51 °C -60 °F (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
−18 °Cshown -18 °C OC /From table/ [3] Hazardous Substances Data Bank (HSDB)cites International Labour Office. Encyclopedia of Occupational Health and Safety. Vols. I&II. Geneva, Switzerland: International Labour Office, 1983., p. 1073
Autoignition temperature: 275 °C (527 °F)[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
275 °C 527 °F (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
275 °Cshown 527 °F [3] Hazardous Substances Data Bank (HSDB)cites Sax, N.I. Dangerous Properties of Industrial Materials. 5th ed. New York: Van Nostrand Rheinhold, 1979., p. 375
Viscosity: Reported, but no value passed the checks.
The value and why
0.202 cSt at 20 °C (could not be read; source [3])

Value	As written	Source
–	1-pentene is a colorless liquid with an odor of gasoline. Flash point -20 °F (Aldrich). Insoluble in water and less dense than water. Hence floats on water. Flammable vapor is produced. Boiling point 86 °F. (USCG, 1999)	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–	Liquid	[2] EPA Chemical Data Reporting (CDR)
–shown	Colorless liquid	[3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 12th ed. New York, NY: Van Nostrand Rheinhold Co., 1993, p. 882

Value	As written	Source
−165 °C	-265 °F (USCG, 1999)	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
−165.2 °Cshown	-165.2 °C	[4] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
29.9 °C	85.8 °F at 760 mmHg (USCG, 1999)	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
29.9 °Cshown	29.9 °C @760 [mm Hg]	[4] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–	0.641 at 68 °F (USCG, 1999) - Less dense than water	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–shown	0.6405 @ 20°C	[4] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
635 mmHgshown	635 mm Hg @ 25 °C	[3] Hazardous Substances Data Bank (HSDB)cites Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)
635 mmHg	635 [mm Hg] @25 °C	[4] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
−51 °C	-60 °F (USCG, 1999)	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
−18 °Cshown	-18 °C OC /From table/	[3] Hazardous Substances Data Bank (HSDB)cites International Labour Office. Encyclopedia of Occupational Health and Safety. Vols. I&II. Geneva, Switzerland: International Labour Office, 1983., p. 1073

Value	As written	Source
275 °C	527 °F (USCG, 1999)	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
275 °Cshown	527 °F	[3] Hazardous Substances Data Bank (HSDB)cites Sax, N.I. Dangerous Properties of Industrial Materials. 5th ed. New York: Van Nostrand Rheinhold, 1979., p. 375

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 5
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0.6
H-bond donors: 0
H-bond acceptors: 0
Rotatable bonds: 2
TPSA (Å²): 0
Formal charge: 0
XLogP3: 2.4 PubChem
Complexity: 21 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C85.63%
H14.37%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: 1.97 Crippen (Wildman and Crippen 1999)
log S (water solubility): -1.39 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 2.53 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 70.14
log P ≤ 5 (Crippen): 1.97
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 0

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Most widely reported: 223 company reports to ECHA. Source [5].

Flammable
Harmful or irritant
Health hazard

H224Extremely flammable liquid and vapor
H304May be fatal if swallowed and enters airways (51.1% of reports)
H315Causes skin irritation (17.9% of reports)
H319Causes serious eye irritation (17.9% of reports)
H412Harmful to aquatic life with long lasting effects (61.9% of reports)

Precautionary statements: P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, P501

First aid

Inhalation: Remove victim from exposure. Skin: Wash with soap and water. Eyes: Flush with water. (USCG, 1999)[1]
General First Aid: · Call 911 or emergency medical service. · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination. · Move victim to fresh air if it can be done safely. · Administer oxygen if breathing is difficult. · If victim is not breathing: -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance. -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped…[6]

Safety data sheets on the supplier’s page: Molport, Thermo Fisher Scientific, Fluorochem.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[3]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[4]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[5]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[6]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
[7]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[8]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[9]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[10]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[11]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[12]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.