4-Isopropylbenzaldehyde

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Names

[ CAS No. ]:
122-03-2

[ Name ]:
4-Isopropylbenzaldehyde

[Synonym ]:
Cuminal
Cuminaldehyde
VHR DY1&1
EINECS 204-516-9
4-propan-2-ylbenzaldehyde
4-Isopropylbenzaldehyde
4-(Propan-2-yl)benzaldehyde
MFCD00006953
4-(1-Methylethyl)benzaldehyde
Cuminic Aldehyde
Benzaldehyde, 4-(1-methylethyl)-

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
236.1±9.0 °C at 760 mmHg

[ Melting Point ]:
235-236ºC(lit.)

[ Molecular Formula ]:
C₁₀H₁₂O

[ Molecular Weight ]:
148.202

[ Flash Point ]:
93.3±0.0 °C

[ Exact Mass ]:
148.088821

[ PSA ]:
17.07000

[ LogP ]:
2.98

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.537

[ Water Solubility ]:
insoluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CU7000000

CHEMICAL NAME :: Benzaldehyde, p-isopropyl-

CAS REGISTRY NUMBER :: 122-03-2

BEILSTEIN REFERENCE NO. :: 0636547

LAST UPDATED :: 199701

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C10-H12-O

MOLECULAR WEIGHT :: 148.22

WISWESSER LINE NOTATION :: VHR DY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,395,1974 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1390 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Gastrointestinal - ulceration or bleeding from stomach Liver - other changes

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2400 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: BIJOAK Biochemical Journal. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1906- Volume(issue)/page/year: 34,1196,1940

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 2800 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: 12,395,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5141 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (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;R36/37/38

[ Safety Phrases ]:
S26-S36-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
CU7000000

[ Packaging Group ]:
I; II; III

[ HS Code ]:
2912210000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Cuminol
4-Me2CHC6H4CH2OTMS
4-Bromobenzaldehyde
2-propylzinc bromide
Benzaldehyde, 4-(1-methylethyl)-, oxime, (E)- (9CI)
p-cymene
2-(4-isopropylphenyl)-1,3-dithiolane
p-cymene, 7-chloro-
Cumene

DownStream

ethyl p-isopropylcinnamate
2-Propenoic acid,3-[4-(1-methylethyl)phenyl]-
p-Isopropylbenzylamine
Cuminol
BENZYL-(4-ISOPROPYL-BENZYL)AMINE
4-(2-Carboxyethyl)benzoic acid
2-[(4-propan-2-ylphenyl)methylidene]-3H-inden-1-one
1-ISOPROPYL-4-(2-NITROVINYL)BENZENE
ethyl 6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
ethyl 4-propan-2-ylbenzoate

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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