Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 2   > 2-Pentenal
14901-07-6 structure

2-Pentenal

CAS No.:14901-07-6
Molecular Weight:192.2973
Molecular Formula:C54H82O4 (isomer)
Names and Identifiers
Synonyms

2-Pentanal 2-Penten-1-al 2-pentenal FEMA 3218 gamma-methylcrotonaldehyde g-Methylcrotonaldehyde Pent-2-enal PENTENE-2-AL T2 PENTENAL TRANS-2-PENTEN-1-AL

Inchi
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+
InChkey
PSQYTAPXSHCGMF-BQYQJAHWSA-N
Canonical Smiles
CC1=C(C(CCC1)(C)C)C=CC(=O)C
Isomers Smiles
CC1=C(C(CCC1)(C)C)/C=C/C(=O)C
Properties
Density
g/cm3
Melting Point
-49°C
Boiling Point
510.6°C at 760 mmHg
Refractive Index
1.519-1.5215
Flash Point
109.685°C
HS Code
2914399090
Safety and Handling
Risk Statements
R38;R51/53
Safety Statements
61-36/37/39-27-26
HazardClass
4.1
Safety

Safety Information of 2-Pentenal (764-39-6):
Hazard Codes: Xi
Risk Statements: 10-36/37/38
10: Flammable
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 29
29: Do not empty into drains
RIDADR: UN 1989 3/PG 2
WGK Germany: 3
RTECS: SB1560000
F: 10
Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES.

Toxicity
1.    

msc-ham:lng 300 µmol/L

    MUREAV    Mutation Research. 244 (1990),153.
2.    

ipr-mus LD50:244 mg/kg

    ZolH##    Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, to H. Lau, Tracor Jitco, Inc., October 23, 1975 23OCT75 .
PackingGroup
II; III
Transport
UN 3082
Specification

  2-Pentenal (764-39-6) is colorless to yellow clear liquid, known as 2-Penten-1-al ; 3-Ethyl-2-propenal ; 3-Ethylacrolein ; CCRIS 3514 ; FEMA No. 3218 ; gamma-Methylcrotonaldehyde . When heated to decomposition, it yields Carbon monoxide , Carbon dioxide .

Report

Reported in EPA TSCA Inventory.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

No signal word.

Hazard statement(s)

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:192.2973g/mol
  • Molecular Formula:C54H82O4
  • Exact Mass:192.151415
  • Monoisotopic Mass:192.151415
  • Complexity:292
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-68886732
  • Fax:0086-027-88048077
  • Tel:400-666-7788 +86-10-82848833
  • Fax:+86-10-82849933
  • Tel:020-85585376
  • Fax:020-85585413
  • Tel:+86-731-4421482
  • Fax:+86-731-4427356
  • Tel:86-21-5281-0173
  • Fax:86- 20-82068131
Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-68886732
  • Fax:0086-027-88048077
  • Tel:400-666-7788 +86-10-82848833
  • Fax:+86-10-82849933
  • Tel:020-85585376
  • Fax:020-85585413
  • Tel:+86-731-4421482
  • Fax:+86-731-4427356
  • Tel:86-21-5281-0173
  • Fax:86- 20-82068131
 
<