Isovanillin

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Names

[ CAS No. ]:
621-59-0

[ Name ]:
Isovanillin

[Synonym ]:
Benzaldehyde, 3-hydroxy-4-methoxy-
4-MeO-3-OHC6H3CHO
3-hydroxy-4-methoxy-benzaldehyde
Isovanillin
ISOVANILIN
3-Hydroxy-p-anisaldehyde
4-08-00-01764 (Beilstein Handbook Reference)
Isovanilline
p-Anisaldehyde, 3-hydroxy- (8CI)
3-Hydroxy-4-methoxybenzolcarbaldehyd
3-Hydroxy-4-methoxybenzaldehyde
4-methoxy-3-hydroxybenzaldehyde
EINECS 210-694-9
p-Anisaldehyde, 3-hydroxy-
VHR CQ DO1
Isovanicaline
MFCD00003369
5-Formylguaiacol
iso-vanillin
Isovanilllin

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
308.1±0.0 °C at 760 mmHg

[ Melting Point ]:
113-116 °C

[ Molecular Formula ]:
C₈H₈O₃

[ Molecular Weight ]:
152.147

[ Flash Point ]:
119.9±15.3 °C

[ Exact Mass ]:
152.047348

[ PSA ]:
46.53000

[ LogP ]:
1.10

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

[ Index of Refraction ]:
1.588

[ Storage condition ]:
-20°C Freezer, Under Inert Atmosphere

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CU6540000

CHEMICAL NAME :: Benzaldehyde, 3-hydroxy-4-methoxy-

CAS REGISTRY NUMBER :: 621-59-0

BEILSTEIN REFERENCE NO. :: 1073021

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C8-H8-O3

MOLECULAR WEIGHT :: 152.16

WISWESSER LINE NOTATION :: VHR CQ DO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1276 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 :: 1470 mg/kg

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

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Human Lymphocyte

DOSE/DURATION :: 1500 umol/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 206,17,1988

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

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

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

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36/37

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
CU6540000

[ HS Code ]:
29124900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

5-(Hydroxymethyl)-2-methoxyphenol
3,4-Dihydroxybenzaldehyde
methyl iodide
o-Benzylisovanillin
1-(4-FLUORO-PHENYL)-5-OXO-PYRROLIDINE-3-CARBOXYLICACID
4-METHOXY-3-PROP-2-YNYLOXY-BENZALDEHYDE
piperonal
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzaldehyde
4-methoxy-3-(methoxymethoxy)benzaldehyde
5-(bromomethyl)-2-methoxyphenol

DownStream

5-(1,3-dithian-2-yl)-2-methoxyphenol
2-bromo-3-(2-bromoethyl)-6-methoxyphenol
3-[4-(bromomethyl)phenoxy]-4-methoxybenzaldehyde
5-(bromomethyl)-2-methoxyphenol
5-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2-methoxy-phenol
2-Chloro-3-hydroxy-4-methoxybenzaldehyde
3-Hydroxy-4-methoxybenzonitrile
3-Isopropoxy-4-methoxy-benzaldehyde
4-[(2R)-2-(Chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene

Customs

[ HS Code ]: 2912499000

[ Summary ]:
2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

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