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2,5-Dimethyl-2,4-hexadiene

2,5-Dimethyl-2,4-hexadiene structure

CAS No.: 764-13-6

Chemical Name:: 2,5-Dimethyl-2,4-hexadiene

Synonyms: 2,5-Dimethylhexa-2,4-diene;Biisocrotyl;2,4-Hexadiene, 2,5-dimethyl-;NSC 10812;DIISOCROTYL;Biisobutenyl;DiMethyl-2,4-hexa;TIMTEC-BB SBB008758;2,5-Dimethyl-2,4-hex;(CH3)2C=CHCH=C(CH3)2

CBNumber:: CB8854263

Molecular Formula:: C8H14

Molecular Weight:: 110.2

MDL Number:: MFCD00008904

MOL File:: 764-13-6.mol

MSDS File:: SDS

TDS File:: TDS

Last updated:2026-05-28 03:30:38

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2,5-Dimethyl-2,4-hexadiene Properties

Melting point	12 °C
Boiling point	132134°C
Density	0.773 g/mL at 25 °C(lit.)
vapor density	3.8 (vs air)
vapor pressure	26.9 mm Hg ( 37.7 °C)
refractive index	n20/D 1.476(lit.)
Flash point	85 °F
storage temp.	Flammables area
solubility	Chloroform, Ethyl Acetate
form	Oil
color	Clear Colourless
BRN	1733342
Henry's Law Constant	2.1×10^-4 mol/(m³Pa) at 25℃, Ebert et al. (2023)
InChI	1S/C8H14/c1-7(2)5-6-8(3)4/h5-6H,1-4H3
InChIKey	DZPCYXCBXGQBRN-UHFFFAOYSA-N
SMILES	C\C(C)=C/C=C(\C)C
LogP	3.500
CAS DataBase Reference	764-13-6(CAS DataBase Reference)
FDA UNII	EE5YRI32X6
NIST Chemistry Reference	2,4-Hexadiene, 2,5-dimethyl-(764-13-6)
EPA Substance Registry System	2,4-Hexadiene, 2,5-dimethyl- (764-13-6)
UNSPSC Code	12352100
NACRES	NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)

GHS02,GHS07,GHS09

Signal word

Warning

Hazard statements

H315-H319-H411-H226

Precautionary statements

P501-P273-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P391-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235

target organs

Respiratory system

PPE

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Hazard Codes

Xi,Xn

Risk Statements

10-36/37/38-20/21/22

Safety Statements

16-26-36-36/37/39

RIDADR

UN 3295 3/PG 3

WGK Germany

Autoignition Temperature

559 °F

TSCA

TSCA listed

HazardClass

PackingGroup

III

HS Code

29012900

Storage Class

3 - Flammable liquids

Hazard Classifications

Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3

REACH Registrations

Active

NFPA 704

	2
2		0

2,5-Dimethyl-2,4-hexadiene price More Price(23)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	344311	2,5-Dimethyl-2,4-hexadiene 96%	764-13-6	250ml	$90.8	2023-01-07	Buy
TCI Chemical	D0735	2,5-Dimethyl-2,4-hexadiene (stabilized with BHT) >96.0%(GC)	764-13-6	25mL	$31	2026-04-30	Buy
TCI Chemical	D0735	2,5-Dimethyl-2,4-hexadiene (stabilized with BHT) >96.0%(GC)	764-13-6	500mL	$205	2026-04-30	Buy
TRC	TRC-D473165-5G	2,5-Dimethyl-2,4-hexadiene	764-13-6	5g	$167	2026-06-03	Buy
TRC	TRC-D473165-2G	2,5-Dimethyl-2,4-hexadiene	764-13-6	2g	$135	2026-06-03	Buy

Product number	Packaging	Price	Buy
344311	250ml	$90.8	Buy
D0735	25mL	$31	Buy
D0735	500mL	$205	Buy
TRC-D473165-5G	5g	$167	Buy
TRC-D473165-2G	2g	$135	Buy

2,5-Dimethyl-2,4-hexadiene Chemical Properties, Uses, Production

Chemical Properties

clear colourless liquid

Uses

2,5-dimethyl-2,4-hexadiene is a volatile alkyl compound present in tobacco smoke. It is used as a potential biomarker in breath for prediction of lung cancer.

Uses

2,5-Dimethyl-2,4-hexadiene may be used in the synthesis of (+)-trans-(1R,3R)-chrysanthemic acid methyl ester.

Definition

ChEBI: 2,5-Dimethyl-2,4-hexadiene is an alkadiene.

General Description

2,5-Dimethyl-2,4-hexadiene is an electron-rich alkene. It induces photodechlorination of 9,10-dichloroanthracene and its mechanism has been investigated. Asymmetric cyclopropanation of 2,5-dimethyl-2,4-hexadiene with tert-butyl diazoacetate catalyzed by the new copper-bisoxazoline complex has been reported. 2,5-Dimethyl-2,4-hexadiene has been investigated as a singlet oxygen acceptor in various solvents. Mechanism of addition reaction of aromatic and aliphatic thiols with 2,5-dimethyl-2,4-hexadiene has been investigated.

Purification Methods

Distil, then repeatedly fractionally crystallise it by partial freezing. Immediately before use, the diene is passed through a column containing Woelm silica gel (activity I) and Woelm alumina (neutral) in separate layers. [Beilstein 1 IV 1043.]

2,5-Dimethyl-2,4-hexadiene synthesis

Synthesis of 2,5-Dimethyl-2,4-hexadiene from 2-Methyl-1-propanol and Isobutyraldehyde

2,5-Dimethyl-2,4-hexadiene Preparation Products And Raw materials

Raw materials

NIOBIUM SHEET 1.0 X 100 X 200 MM Phosphoric acid 2,5-Hexanediol Isobutylene Isobutyraldehyde

(E)-2,5-dimethylhex-3-ene-2,5-diol 3-Hexene-2,5-diol, 2,5-dimethyl-, (3Z)- cis-1-bromo-1-nonene 1-Chloro-2-methyl-1-propene 2,5-Dimethyl-1,5-hexadiene

1-Bromo-2-methylpropene 2-Methyl-1-propenylmagnesium bromide Isobutylene oxide 2-Methyl-1-propanol

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Preparation Products

2,2-Dimethyl-3-(2-methylpropyl)cyclopropanecarboxylic acid p-(methoxymethyl)benzyl ester methyl(±)cis，trans-2，2-dimethyl-3-(2-methyl-1-propenyl cyclopropane carboxylate) Ethyl chrysanthemumate 2,5-Dichloro-2,5-dimethylhexane 2-Methylcyclopentanone

Isobutyl isobutyrate

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2,5-Dimethyl-2,4-hexadiene Suppliers

Global Suppliers ( 153)

Supplier	Tel	Email	Country	ProdList	Advantage
Sichuan Zhongbang Pharma CO.，LTD	0830-0830-2585019 13679670161	sales2@zhongbangst.com	China	105	69
Hubei Zhuosheng New Material Technology Co., Ltd	18971238634	2189484023@qq.com	China	497	58
Hubei long Kang Sheng Fine Chemical Co., Ltd.	027-027-83850368 18140587623	3052398675@qq.com	China	992	58
Alfa Aesar	400-6106006	saleschina@alfa-asia.com	China	30103	84
TCI (Shanghai) Development Co., Ltd.	021-67121386	Sales-CN@TCIchemicals.com	China	24512	81
Energy Chemical	400-0056266	sales8178@energy-chemical.com	China	44850	61
Shijiazhuang Sdyano Fine Chemical Co., Ltd.	0311-89250318 13582355795	master@sjzsdyn.com	China	2776	65
Shanghai Longsheng chemical Co.,Ltd.	58099637 13585536065	sales@shlschem.com	China	9880	59
Shanghai Hanhong Scientific Co.,Ltd.	021-54306202 13764082696	info@hanhongsci.com	China	42917	64
Chemsky（shanghai）International Co.,Ltd.	021-50135380	shchemsky@sina.com	China	32273	50

Supplier	Advantage
Sichuan Zhongbang Pharma CO.，LTD	69
Hubei Zhuosheng New Material Technology Co., Ltd	58
Hubei long Kang Sheng Fine Chemical Co., Ltd.	58
Alfa Aesar	84
TCI (Shanghai) Development Co., Ltd.	81
Energy Chemical	61
Shijiazhuang Sdyano Fine Chemical Co., Ltd.	65
Shanghai Longsheng chemical Co.,Ltd.	59
Shanghai Hanhong Scientific Co.,Ltd.	64
Chemsky（shanghai）International Co.,Ltd.	50

View Latest Price from 2,5-Dimethyl-2,4-hexadiene manufacturers

Image	Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
	2026-09-02	2,5-Dimethyl-2,4-hexadiene 764-13-6		20kg	99%	20 tons	Qingdao RENAS Polymer Material Co., Ltd.
	2019-12-20	2,5-Dimethyl-2,4-hexadiene 764-13-6	$1.00	1g	99%		Career Henan Chemical Co

2,5-Dimethyl-2,4-hexadiene
764-13-6
$0.00
99%
Qingdao RENAS Polymer Material Co., Ltd.

2,5-Dimethyl-2,4-hexadiene
764-13-6
$1.00
99%
Career Henan Chemical Co

2,5-Dimethyl-2,4-hexadiene Spectrum

2,5-Dimethyl-2,4-hexadiene(764-13-6)MS 2,5-Dimethyl-2,4-hexadiene(764-13-6)¹HNMR 2,5-Dimethyl-2,4-hexadiene(764-13-6)¹³CNMR 2,5-Dimethyl-2,4-hexadiene(764-13-6)IR1 2,5-Dimethyl-2,4-hexadiene(764-13-6)IR2 2,5-Dimethyl-2,4-hexadiene(764-13-6)Raman

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4-Hexadiene,2,5-dimethyl-2 Biisobutenyl DIISOCROTYL 2,5-DIMETHYL-2,4-HEXADIENE TIMTEC-BB SBB008758 2,5-Dimethyl-2,4-hexadiene min.98%(GC) 2,5-Dimethyl-2,4-hexadiene (stabilized with MEHQ) 2,5-Dimethyl-2,4-hex 2,4-Hexadiene, 2,5-dimethyl- 2,5-Dimethyl-2,4-hexadiene (stabilized with BHT) 2,5-Dimethyl-2,4-hexadiene,97% 2,5-Dimethyl-2,4-hexandiene (CH3)2C=CHCH=C(CH3)2 2,5-dimethyl-4-hexadiene DiMethyl-2,4-hexa 2,5-Dimethyl-2,4-Hexadiene in china 2,5-Dimethyl-2,4-hexadiene 96% 1,1,4,4-TetraMethylbuta-1,3-diene NSC 10812 2,5-Dimethyl-2,4-hexadiene (stabilized with BHT)> 2,5-Dimethyl-2,4-hexadiene, stabilized with BHT, ≥ 96.0% 2,5-Dimethylhexa-2,4-dien 2,5-Dimethylhexa-2,4-diene Biisocrotyl 764-13-6 764-73-6 2164-13-6 764136 Alkenes Acyclic Building Blocks Organic Building Blocks Pharmaceuticals Acyclic Alkenes Organic Building Blocks Aliphatics Intermediates & Fine Chemicals Mutagenesis Research Chemicals