Vanillin
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
Biological Activity
[Description]:
[Related Catalog]:
[Target]
Human Endogenous Metabolite
[In Vitro]
[In Vivo]
[Kinase Assay]
[Cell Assay]
[Animal admin]
[References]
[Related Small Molecules]
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
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
Precursor & DownStream
Precursor
DownStream
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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