Isovanillin

Modify Date: 2025-08-21 15:53:31

Isovanillin structure	Common Name	Isovanillin
	CAS Number	621-59-0	Molecular Weight	152.147
	Density	1.2±0.1 g/cm3	Boiling Point	308.1±0.0 °C at 760 mmHg
	Molecular Formula	C₈H₈O₃	Melting Point	113-116 °C
	MSDS	Chinese USA	Flash Point	119.9±15.3 °C
	Symbol	GHS07	Signal Word	Warning

Use of Isovanillin

Isovanillin is an aldehyde oxidase inhibitor[1]. Antispasmodic activities[2]. Antidiarrheal activities[3].

Name	Isovanillin
Synonym	More Synonyms

Description	Isovanillin is an aldehyde oxidase inhibitor[1]. Antispasmodic activities[2]. Antidiarrheal activities[3].
Related Catalog	Signaling Pathways >> Others >> Others Research Areas >> Metabolic Disease Research Areas >> Neurological Disease Natural Products >> Phenols
Target	Aldehyde oxidase[1]
In Vitro	Isovanillin is not a substrate for aldehyde oxidase and therefore it is metabolized to isovanillic acid predominantly by aldehyde dehydrogenase[1]. Isovanillin is relaxant of ileum contractions induced by 5-HT (IC50=356±50μM) [2].
In Vivo	Isovanillin (2 mg/kg & 5 mg/kg) and iso-acetovanillon (2 mg/kg & 5 mg/kg) both have antidiarrheal and anti-motility effect on gastrointestinal tract[3].
References	[1]. Panoutsopoulos GI, et al. Enzymatic oxidation of vanillin, isovanillin and protocatechuic aldehyde with freshly prepared Guinea pig liver slices. Cell Physiol Biochem. 2005;15(1-4):89-98. [2]. Sadraei H, et al. Antispasmodic activity of isovanillin and isoacetovanillon in comparison with Pycnocycla spinosa Decne.exBoiss extract on rat ileum. Res Pharm Sci. 2014 May-Jun;9(3):187-92. [3]. Sadraei H, et al. Antidiarrheal activities of isovanillin, iso-acetovanillon and Pycnocycla spinosa Decne ex.Boiss extract in mice. Res Pharm Sci. 2014 Mar-Apr;9(2):83-9.

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
InChIKey	JVTZFYYHCGSXJV-UHFFFAOYSA-N
SMILES	COc1ccc(C=O)cc1O
Storage condition	-20°C Freezer, Under Inert Atmosphere

Isovanillin MSDS(Chinese)

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

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

Precursor 10
CAS#:4383-06-6 5-(Hydroxymethy... CAS#:139-85-5 3,4-Dihydroxybe... CAS#:74-88-4 methyl iodide CAS#:6346-05-0 o-Benzylisovanillin
CAS#:18075-40-6 1-(4-FLUORO-PHE... CAS#:145654-01-9 4-METHOXY-3-PRO... CAS#:120-57-0 piperonal CAS#:97315-18-9 3-[tert-butyl(d...
CAS#:5779-98-6 4-methoxy-3-(me... CAS#:111394-51-5 5-(bromomethyl)...
DownStream 9
CAS#:110815-90-2 5-(1,3-dithian-... CAS#:105728-94-7 2-bromo-3-(2-br... CAS#:111436-61-4 3-[4-(bromometh... CAS#:111394-51-5 5-(bromomethyl)...
CAS#:4579-60-6 5-[[2-(4-hydrox... CAS#:37687-57-3 2-Chloro-3-hydr... CAS#:52805-46-6 3-Hydroxy-4-met... CAS#:34123-66-5 3-Isopropoxy-4-...
CAS#:324763-39-5 4-[(2R)-2-(Chlo...

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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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

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Isovanillin
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DC Chemicals Limited
China
Product Name: Isovanillin
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Isovanillin
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
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Henan Tianfu Chemical Co., Ltd.
China
Product Name: Iso vanilin
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
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Isovanillin

Use of Isovanillin

Names

Isovanillin Biological Activity

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Synthetic Route

Precursor & DownStream

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