Vanillin

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Names

[ CAS No. ]:
121-33-5

[ Name ]:
Vanillin

[Synonym ]:
4-Hydroxy-3-methoxybenzaldehyde,Vanillic aldehyde
Lioxin
3-Methoxy-4-hydroxybenzaldehyde
Vanillin (contains H2SO4) Ethanol
VANILLA
VANILLINE
Zimco
4-oxy-3-methoxybenzaldehyde
Reference source: Negwer
Vinillin
compound no 1131
Rhovanil
3-methoxy-4-hydroxy-benzaldehyde
Vanilin
Vanillin
MFCD00006942
4-Hydroxy-3-methoxybenzaldehyde
EINECS 204-465-2
FEMA 3107

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
282.6±20.0 °C at 760 mmHg

[ Melting Point ]:
81-83 °C(lit.)

[ Molecular Formula ]:
C₈H₈O₃

[ Molecular Weight ]:
152.147

[ Flash Point ]:
117.6±15.3 °C

[ Exact Mass ]:
152.047348

[ PSA ]:
46.53000

[ LogP ]:
1.19

[ Vapour density ]:
5.3 (vs air)

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.588

[ Storage condition ]:
Refrigerator

[ Stability ]:
Stable. May discolour on exposure to light. Moisture-sensitive. Incompatible with strong oxidizing agents, perchloric acid.

[ Water Solubility ]:
10 g/L (25 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YW5775000

CHEMICAL NAME :: Vanillin

CAS REGISTRY NUMBER :: 121-33-5

BEILSTEIN REFERENCE NO. :: 0472792

LAST UPDATED :: 199710

DATA ITEMS CITED :: 24

MOLECULAR FORMULA :: C8-H8-O3

MOLECULAR WEIGHT :: 152.16

WISWESSER LINE NOTATION :: VHR DQ CO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1580 mg/kg

TOXIC EFFECTS :: Behavioral - coma

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >41700 ug/kg/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Liver - jaundice, other or unclassified

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1160 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1500 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - miosis (pupillary constriction) Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory stimulation

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3925 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - coma

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >41700 ug/kg/2H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 475 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 1320 mg/kg

TOXIC EFFECTS :: Vascular - BP lowering not characterized in autonomic section Vascular - acute arterial occlusion Lungs, Thorax, or Respiration - other changes

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5010 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - food intake (animal) Gastrointestinal - peritonitis

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 1400 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4480 mg/kg/70D-I

TOXIC EFFECTS :: Cardiac - other changes Blood - changes in spleen Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 273 gm/kg/13W-C

TOXIC EFFECTS :: Liver - other changes Kidney, Ureter, Bladder - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 41700 ug/m3/4H/30D-I

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Blood - changes in erythrocyte (RBC) count Blood - changes in leukocyte (WBC) count

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 20 mg/kg

SEX/DURATION :: female 4 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Human Lymphocyte

DOSE/DURATION :: 750 umol/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 169,129,1986 *** REVIEWS *** TOXICOLOGY REVIEW FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,611,1977 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M0609 No. of Facilities: 378 (estimated) No. of Industries: 14 No. of Occupations: 28 No. of Employees: 6740 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M0609 No. of Facilities: 10912 (estimated) No. of Industries: 89 No. of Occupations: 97 No. of Employees: 177946 (estimated) No. of Female Employees: 69887 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H319

[ Precautionary Statements ]:
P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S24/25-S22

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
YW5775000

[ HS Code ]:
2912410000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

veratraldehyde
Creosol
4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybenzaldehyde
Phenol,2-methoxy-4-(1E)-1-propen-1-yl-
3-methoxy-4-[(tetrahydro-2H-pyran-2-yl)oxy]benzaldehyde
Methanol
Vanillyl alcohol
3-methoxy-4-(methoxymethoxy)benzaldehyde
Isoeugenol,mixture of cis and trans

DownStream

2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)-N'-[(Z)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide
(E)-2-cyano-3-[4-hydroxy-3-methoxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide
N'-[(Z)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetohydrazide
1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
2,4-dimethoxy-1-(methoxymethoxy)benzene
(E)-5-Hydroxyferulic acid
4-benzyloxy-3-methoxybenzyl alcohol
Benzaldehyde,4-(acetyloxy)-2-bromo-5-methoxy-
3-Iodo-4,5-dimethoxybenzaldehyde
3-Chloro-4,5-dihydroxybenzaldehyde

Customs

[ HS Code ]: 2912410000

[ Summary ]:
HS: 2912410000. 4-hydroxy-3-methoxybenzaldehyde. VAT:17.0%. tax rebate rate:13.0%. supervision conditions:None. MFN tarrif:5.5%. general tariff:30.0%

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2,2-Diethoxy-N-((6-fluoropyridin-2-yl)methyl)ethan-1-amine
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