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Home> Encyclopedia > Hot Product Listed 5   > 5,8-Nonadienoic acid,9-(4-chlorophenyl)-7,7-dimethyl-, (Z,Z)- (9CI)
34256-82-1 structure

5,8-Nonadienoic acid,9-(4-chlorophenyl)-7,7-dimethyl-, (Z,Z)- (9CI)

Iupac Name:2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CAS No.:34256-82-1
Molecular Weight:269.769
Molecular Formula:C17H12O3 (isomer)
Names and Identifiers
Synonyms

(5Z,8Z)-9-(4-chlorophenyl)-7,7-dimethylnona-5,8-dienoic acid 9-(4-Chlorophenyl)-7,7-dimethyl-5(Z),8(Z)-nonadienoic acid AC1O5YQ8

Inchi
InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
InChkey
VTNQPKFIQCLBDU-UHFFFAOYSA-N
Canonical Smiles
CCC1=CC=CC(=C1N(COCC)C(=O)CCl)C
Properties
Density
1.39
Melting Point
<0℃
Boiling Point
453.6°Cat760mmHg
Refractive Index
1.5272 (20 C)
Flash Point
324.8°C
HS Code
3808931100
Safety and Handling
Risk Statements
R20;R37/38;R43;R50/53
Safety Statements
S2;S36/37;S60;S61
Transport
UN3082 9/PG 3
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity \u2013 single exposure, Category 3

Carcinogenicity, Category 2

Specific target organ toxicity \u2013 repeated exposure, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H332 Harmful if inhaled

H335 May cause respiratory irritation

H351 Suspected of causing cancer

H373 May cause damage to organs through prolonged or repeated exposure

H410 Very toxic to aquatic life with long lasting effects

H361f

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P273 Avoid release to the environment.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:269.769g/mol
  • Molecular Formula:C17H12O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.2
  • Exact Mass:269.118
  • Monoisotopic Mass:269.118
  • Complexity:260
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.5A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByMAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgIAAAAADAuhmEYywIMABACI AiVSUACCAAAhAAAIiAAIRIhIICLAkZHMIAhghgDIyAcQgMAOAAACAAACAAAAAAQAAAQAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-571-87396431
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