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2-Heptene, (2Z)-

HCID 643836
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
6443-92-1
Standard SMILES
C/C=C\CCCC
InChIKey
OTTZHAVKAVGASB-HYXAFXHYSA-N
Molecular formula
C7H14
Average molar mass
98.19 g/mol
Monoisotopic mass
98.10955045

Overview

2-Heptene is an acyclic olefin.

Names & identifiers

Preferred name
2-Heptene, (2Z)-
IUPAC
(Z)-hept-2-ene
English name
cis-2-Heptene
Molecular formula
C7H14
Molecular weight
98.19

Names & synonyms

cis-2-Heptene6443-92-1(Z)-Hept-2-ene(Z)-2-Heptene2-Heptene, (Z)-2-heptene, (2Z)-(2Z)-hept-2-ene(2Z)-2-HepteneEINECS 229-242-7250X978P9QHEPT-2-ENE, CIS-RefChem:472831
Show more names
2Z-7Hy2-Heptylene(Z)-5-Heptene2-HEPTENE(CIS)
229-242-751149-74-7(Z)?-?2-?Heptene(Z)-2-C7H14cis-hept-2-eneMFCD00063976(2Z)-Heptenecis-2-Heptene, 97%

Database identifiers

CAS
6443-92-1
PubChem CID
643836
DTXSID
DTXSID60896845
ChEBI
CHEBI:88413
UNII
250X978P9Q
EC Number
229-242-7
Nikkaji
J147.997K

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
3
Heavy atoms
7
Formal charge
0
Complexity
44

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point
-109.15 °C · -109.15°C
Boiling point
98 · 98-99 °C(lit.)
Density
0.708 g/mL · 0.708 g/mL at 25 °C(lit.)
vapor pressure
87 mm · 87 mm Hg ( 37.7 °C)
refractive index
20 · n20/D 1.407(lit.)
Flash point
21 °F · 21 °F
solubility
Soluble in acetone, alcohol, benzene, chloroform, ether (Weast, 1986), and miscible with many aliphatic hydrocarbons including hexane.
form
clear liquid
pka
14 · >14 (Schwarzenbach et al., 1993)
color
Colorless to Almost colorless
Henry's Law Constant
0.42 · 0.42(atmm3/mol) at 23 °C (approximate - calculated from water solubility and vapor pressure)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 3295 3/PG 2
hs_code
2901.29.1050
risk_code
11-36/37/38
Signal word
Danger
Symbol(GHS)
GHS02,GHS07
hazard_code
F,Xi
safety_code
16-26-36
hazard_class
3.1
Storage Class
3 - Flammable liquids
packing_group
II
target organs
Respiratory system
Hazard statements
H225-H315-H319-H335

Chemistry & industry

Applications

Usescis-2-Heptene (alkene) was used in the synthesis of the corresponding bis(10-phenoxathiiniumyl)alkane adduct.

General DescriptionThe rate constants for the epoxidation of cis-2-heptene with meta-chloroperbenzoic acid (mCPBA) and [2-percarboxyethyl]-functionalized silica in different solvents were studied.

Upstream & downstream products

Downstream products

trans-3-Heptene

Additional notes

DefinitionChEBI: 2-Heptene is an acyclic olefin.

Related reactions

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Compound notes

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InChI
1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3-
InChIKey
OTTZHAVKAVGASB-HYXAFXHYSA-N
SMILES
[H]\C(C)=C(/[H])CCCC
LogP
3.96 · 3.960 (est)
CAS DataBase Reference
6443 · 6443-92-1(CAS DataBase Reference)
FDA UNII
250 X978P9Q · 250X978P9Q
UNSPSC Code
12352100 · 12352100
Symbol(GHS)
2 · GHS02,GHS07
Signal word
Danger
Hazard statements
225 · H225-H315-H319-H335
Precautionary statements
210 · P210-P302+P352-P305+P351+P338
target organs
Respiratory system
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
F,Xi
Risk Statements
11 · 11-36/37/38
Safety Statements
16 · 16-26-36
RIDADR
3295 · UN 3295 3/PG 2
WGK Germany
3 · 3
HS Code
2901.29 · 2901.29.1050
HazardClass
3.1 · 3.1
PackingGroup
II
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Hazard Classifications
Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements
P210-P302+P352-P305+P351+P338