Phenylacetaldehyde

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Names

[ CAS No. ]:
122-78-1

[ Name ]:
Phenylacetaldehyde

[Synonym ]:
2-phenylethanal
phenylacetadehyde
acetaldehyde, phenyl-
α-Toluic aldehyde
EINECS 204-574-5
phenyl-acetaldehyd
MFCD00006993
Phenylethanal
2-Phenylacetaldehyde
α-Tolualdehyde
Acetaldehyde, phenyl- (8CI)
Benzeneacetaldehyde
FEMA 2874
Hyacinthin
Phenylacetaldehyde
α-Tolyaldehyde

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
198.0±9.0 °C at 760 mmHg

[ Melting Point ]:
−10 °C(lit.)

[ Molecular Formula ]:
C8H8O

[ Molecular Weight ]:
120.148

[ Flash Point ]:
89.2±10.2 °C

[ Exact Mass ]:
120.057518

[ PSA ]:
17.07000

[ LogP ]:
1.78

[ Vapour Pressure ]:
0.4±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.514

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.

[ Water Solubility ]:
2.210 g/L (25 ºC)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY1420000
CHEMICAL NAME :
Benzeneacetaldehyde
CAS REGISTRY NUMBER :
122-78-1
LAST UPDATED :
199710
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C8-H8-O
MOLECULAR WEIGHT :
120.16
WISWESSER LINE NOTATION :
VH1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Human
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,377,1979 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1550 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,377,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3890 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
VPITAR Voprosy Pitaniya. Problems of Nutrition. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11- 1952- Volume(issue)/page/year: 33(5),48,1974
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TOVEFN Toksikologicheskii Vestnik. (18-20 Vadkovskii per. Moscow, 101479, Russia) History Unknown Volume(issue)/page/year: (2),35,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,377,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
3890 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
VPITAR Voprosy Pitaniya. Problems of Nutrition. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11- 1952- Volume(issue)/page/year: 33(5),48,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9666 No. of Facilities: 2374 (estimated) No. of Industries: 18 No. of Occupations: 23 No. of Employees: 25825 (estimated) No. of Female Employees: 18282 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ 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 ]:
R22;R43

[ Safety Phrases ]:
S26-S36-S37-S24-S16-S7

[ RIDADR ]:
UN 1170 3/PG 2

[ WGK Germany ]:
2

[ RTECS ]:
CY1420000

[ HS Code ]:
2912299000

Synthetic Route

Precursor & DownStream

Precursor

  • carbon monoxide
  • Benzyl bromide
  • Benzyl cyanide
  • 2-Phenylethane-1,1-diol diacetate
  • Phenethyl alcohol
  • phenylene-ethylene
  • Styrene oxide
  • Phenylacetylene

DownStream

  • 3-Methyl-5-phenylpyridine
  • 7-nitro-2-phenylquinoxaline
  • (R)-Bendroflumethiazide
  • 5-Phenyl-3-penten-2-one
  • N,N-dimethyl-2-phenylethenamine
  • (R)-2-hydroxy-3-phenylpropionitrile
  • (S)-A-HYDROXYBENZENEPROPANENITRILE
  • 1-Phenethyl-4-piperidone
  • 2-methyl-5-phenylpyridine
  • 2-METHYL-6-PHENYLPYRIDINE

Customs

[ HS Code ]: 2912299000

[ Summary ]:
2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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Related Compounds

  • phenylacetaldehyde
  • 3-(1H-tetrazol-1-yl)phenyl 3-propoxybenzoate
  • 3-(1H-tetrazol-1-yl)phenyl 3-butoxybenzoate
  • 3-(1H-tetrazol-1-yl)phenyl 2-propoxybenzoate
  • 2-[4-(3,6-dichloropyridine-2-carbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
  • 2,4,6,7-Tetramethyl-2,3-dihydro-1-benzofuran
  • 1-(pyridin-2-ylmethyl)-1H-benzimidazole-5-carboxylic acid
  • 1-((4-(Chloromethyl)phenoxy)methyl)-2-fluorobenzene
  • N-[[3-(trifluoromethyl)phenyl]methyl]cycloheptanamine
  • (Heptan-4-yl)(thiophen-2-ylmethyl)amine
  • 1-(4-Cyanophenyl)piperidine-4-carboxamide