Trans-​2-​Hexenal

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Names

[ CAS No. ]:
6728-26-3

[ Name ]:
Trans-​2-​Hexenal

[Synonym ]:
(e)-2-hexena
VH1U4 &&E Form
2-Hexenal, (2E)-
FEMA 2560
(E)-2-Hexenal
HEXENAL-2
trans-2-Hexenal
Leaf aldehyde
EINECS 229-778-1
2-trans-Hexenal
Hex-2(E)-enal
3-propylacrolein
(2E)-2-Hexenal
(E)-hex-2-enal
(E)-2-hexanal
(E)-Hexenal
T2 HEXENAL
2-(E)-hexenal
MFCD00007008
trans-hex-2-enal
(2E)-hexenal
trans-2-hexanal

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
146.5±0.0 °C at 760 mmHg

[ Molecular Formula ]:
C6H10O

[ Molecular Weight ]:
98.143

[ Flash Point ]:
38.3±0.0 °C

[ Exact Mass ]:
98.073166

[ PSA ]:
17.07000

[ LogP ]:
1.58

[ Vapour density ]:
3.4 (vs air)

[ Vapour Pressure ]:
4.6±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.422

[ Storage condition ]:
0-6°C

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MP5900000
CHEMICAL NAME :
2-Hexenal, (E)-
CAS REGISTRY NUMBER :
6728-26-3
BEILSTEIN REFERENCE NO. :
1699684
LAST UPDATED :
199709
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C6-H10-O
MOLECULAR WEIGHT :
98.16
WISWESSER LINE NOTATION :
VH1U4 -T

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
780 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Vascular - regional or general arteriolar or venous dilation Gastrointestinal - changes in structure or function of salivary glands
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Vascular - regional or general arteriolar or venous dilation Gastrointestinal - changes in structure or function of salivary glands
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
685 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Vascular - regional or general arteriolar or venous dilation Gastrointestinal - changes in structure or function of salivary glands
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TEST SYSTEM :
Human
DOSE/DURATION :
10 ppm/3D (Continuous)
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 390,161,1997

Safety Information

[ Symbol ]:

GHS02, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H302-H311-H317

[ Precautionary Statements ]:
P280-P312

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R10;R21/22

[ Safety Phrases ]:
S16-S26-S36

[ RIDADR ]:
UN 1988 3/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
MP5900000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

Synthetic Route

Precursor & DownStream

Precursor

  • CIS-2-HEXEN-1-OL
  • cis-3-Hexen-1-ol
  • (E)-2-HEXENOL
  • 1,1-diethoxyhex-2-ene
  • cis-2-(1'-butyl)-1-(trimethylsilyl)oxirane
  • Valeraldehyde
  • (Triphenylphosphoranylidene)acetaldehyde
  • (E)-allyl hex-2-en-1-yl carbonate
  • 1-tert-butylsulfanylhex-1-en-3-ol

DownStream

  • 1-cyanohex-2-enyl acetate
  • 2-pent-1-enyl-1,3-dithiolane
  • Furfural
  • 3-Hydroxy-2H-Pyran-2-One
  • Furan-2-carboxylic acid
  • trans-Hex-2-enoic acid
  • 2,3-dihydro-6-propylbenzofuran-3,7-diol
  • 3-(2-furoyl)hexanal
  • (E)-2-HEXENOL

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Related Compounds

  • trans-2-hexenal benzoylhydrazone
  • trans-2-hexenal N,N-dimethylhydrazone
  • 1,​2-​Benzenediol, 4-​[2-​(3,​5-​dihydroxyphenyl)​ethenyl]​
  • 1,​2-​Ethanediamine, N2-​[2-​bromo-​4-​(trifluoromethyl)​phenyl]​-​N1,​N1-​dimethyl-
  • 1,​2-​Ethanediamine, N2-​[3-​bromo-​5-​(trifluoromethyl)​phenyl]​-​N1,​N1-​dimethyl
  • 1,​2,​4-​Oxadiazole-​3-​carboxylic acid
  • 2-Methyl-5-(pyrrolidin-3-yl)pyrazine
  • 1-(5-Methylpyrazin-2-yl)cyclobutan-1-amine
  • [1-(5-Methylpyrazin-2-yl)cyclopropyl]methanamine
  • 2-Methyl-3-(pyrrolidin-3-yl)pyrazine
  • 1-(3-Methylpyrazin-2-yl)cyclobutan-1-amine
  • 4-(Pyridin-3-yl)pyrrolidin-3-amine
  • (4-(Trifluoromethyl)-1H-pyrrol-2-yl)methanamine
  • 1,3-Dihydro-2-benzofuran-4-carboxylic acid
  • 5H,6H,7H-pyrrolo[3,4-b]pyridine-2-carboxylic acid
  • 2-(Aminomethyl)-5-hydroxybenzo[d]oxazole
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