2,4-Hexadiene

HCID 11600
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
592-46-1
Standard SMILES
CC=CC=CC
InChIKey
APPOKADJQUIAHP-UHFFFAOYSA-N
Molecular formula
C6H10
Average molar mass
82.14 g/mol
Monoisotopic mass
82.07825032

Names & identifiers

Preferred name
2,4-Hexadiene
IUPAC
hexa-2,4-diene
English name
2,4-HEXADIENE
Molecular formula
C6H10
Molecular weight
82.14

Names & synonyms

Hexa-2,4-diene592-46-1DipropenylBipropenyl1,4-DimethylbutadieneDTXSID5022069NSC-74169RefChem:1059822DTXCID60809753J94.862D209-757-32,4-Hexadiene
Show more names
NSC 74169Hexadiene-2，4Containsisomeres2,4-Hexadiene,95%(2E,4E)-2,4-Hexadiene
5YFI5QMF7325702-29-8CH3CH=CHCH=CHCH3SCHEMBL27683SCHEMBL43444SCHEMBL44091SCHEMBL482549SCHEMBL833661

Database identifiers

CAS
592-46-1
PubChem CID
11600
DTXSID
DTXSID5022069
EC Number
209-757-3

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
6

Experimental & physicochemical properties

Physical DescriptionColorless liquid; [Aldrich MSDS]
Kovats Retention Index · 3 items

629；629

661；662；663；664

1280；1284

Physicochemical properties

Melting point
179 · 179-180℃
Boiling point
82 °C · 82 °C(lit.)
Density
0.72 g/mL · 0.72 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.445(lit.)
Flash point
7 °F · 7 °F
storage temp.
Flammables area

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazards SummaryA skin and strong eye irritant; [Aldrich MSDS] See 1,4-Hexadiene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (95.7%)；Eye Irrit. 2 (95.7%)；STOT SE 3 (95.7%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

wgk
3
ridadr
UN 2458 3/PG 2
hs_code
29012900
risk_code
11-36/37/38
Signal word
Danger
Symbol(GHS)
GHS02,GHS08

Chemistry & industry

Applications · 2 items

Uses2,4-Hexadiene is used in the production of 3,6-dimethyl-3,6-dihydro-[1,2]dithiine.

General Description2,4-Hexadiene, mixture of isomers, is a conjugated diene. The interaction between palladium chloride and 2,4-hexadiene has been reported to proceed in a stereospecific manner. The photodissociation spectra of 2,4-hexadiene isomers have been recorded. The polymers obtained by the polymerization of 2,4-hexadiene isomers are reported to have the trans-1,4 structure.

Upstream & downstream products

Suppliers38 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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