Isoeugenol,mixture of cis and trans

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Names

[ CAS No. ]:
97-54-1

[ Name ]:
Isoeugenol,mixture of cis and trans

[Synonym ]:
4-hydroxy-3-methoxy-trans-stilbene
MOPEG sulfate potassium salt
2-Methoxy-4-[(1E)-prop-1-en-1-yl]phenol
4-hydroxy-3-methoxystilbene
4-hydroxy-3-methoxyphenylethylene glycol 4-sulfate potassium salt
NOREPINEPHRINE METABOLITE-D3 POTASSIUM SALT
MHPG SULFATE POTASSIUM SALT
(E)-isoeugenol
Phenol, 2-methoxy-4-[(1E)-1-propen-1-yl]-
Isoeugenol
4-hydroxy-3-methoxy-phenylglycol4-sulfate
trans-4-hydroxy-3-methoxystilbene
2-Methoxy-4-[(1E)-1-propen-1-yl]phenol
3-Methoxy-4-Hydroxyphenylglycol Sulfate
4-HYDROXY-3-METHOXYPHENYLGLYCOL*4-SULFAT E POTASSIUM
MFCD00009285
MOPEG SULFATE
(E)-2-methoxy-4-(prop-1-enyl)phenol
4-HYDROXY-3-METHOXYPHENYLGLYCOL SULFATE POTASSIUM SALT
MHPG SULFATE
EINECS 202-590-7
2-Méthoxy-4-[(1E)-1-propèn-1-yl]phénol

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
266.6±20.0 °C at 760 mmHg

[ Melting Point ]:
-10 °C

[ Molecular Formula ]:
C₁₀H₁₂O₂

[ Molecular Weight ]:
164.201

[ Flash Point ]:
122.9±6.7 °C

[ Exact Mass ]:
164.083725

[ PSA ]:
29.46000

[ LogP ]:
2.45

[ Vapour density ]:
>1 (vs air)

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

[ Index of Refraction ]:
1.578

[ Storage condition ]:
0-6°C

[ Stability ]:
Stable. Incompatible with strong oxidizing agents.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SL7875000

CHEMICAL NAME :: Phenol, 2-methoxy-4-propenyl-

CAS REGISTRY NUMBER :: 97-54-1

BEILSTEIN REFERENCE NO. :: 1909602

LAST UPDATED :: 199712

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C10-H12-O2

MOLECULAR WEIGHT :: 164.22

WISWESSER LINE NOTATION :: 2U1R DQ CO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Human - man

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1560 mg/kg

TOXIC EFFECTS :: Behavioral - coma

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 328 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 :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 1410 mg/kg

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

MUTATION DATA

TYPE OF TEST :: Sister chromatid exchange

TEST SYSTEM :: Human Lymphocyte

DOSE/DURATION :: 250 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83233 No. of Facilities: 94 (estimated) No. of Industries: 5 No. of Occupations: 25 No. of Employees: 5786 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83233 No. of Facilities: 3651 (estimated) No. of Industries: 10 No. of Occupations: 19 No. of Employees: 35171 (estimated) No. of Female Employees: 24980 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H317-H319-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

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

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
SL7875000

[ HS Code ]:
2909500000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Eugenol
carbon monoxide
Dibutylamine
3-(4-Hydroxy-3-methoxyphenyl)prop-2-enyl acetate
Benzene,1-ethoxy-2-methoxy-4-(1-propen-1-yl)-
4-(1-ethoxy-2-hydroperoxypropyl)-2-methoxyphenol
4-(2-hydroperoxy-1-methoxypropyl)-2-methoxyphenyl acetate

DownStream

Ethyl ferulate
Methyl vanillate
2-methoxy-4-(1-methoxy-2-(2-methoxy-4-propylphenoxy)propyl)phenyl acetate
Dehydrodiisoeugenol
Vanillin
4-(2-hydroperoxy-1-methoxypropyl)-2-methoxyphenyl acetate
Acetovanillone
2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-one

Customs

[ HS Code ]: 2909500000

[ Summary ]:
2909500000 ether-phenols, ether-alcohol-phenols and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles

Parallel dual secondary column-dual detection: a further way of enhancing the informative potential of two-dimensional comprehensive gas chromatography.

J. Chromatogr. A. 1360 , 264-74, (2014)

Comprehensive two-dimensional gas chromatography (GC×GC) coupled with Mass Spectrometry (MS) is one of today's most powerful analytical platforms for detailed analysis of medium-to-high complexity sam...

Impact of eugenol and isoeugenol on AhR translocation, target gene expression, and proliferation in human HaCaT keratinocytes.

J. Toxicol. Environ. Health A 75(8-10) , 478-91, (2012)

The phenolic derivatives eugenol and isoeugenol, which are naturally found in essential oils of different spices, are commonly used as fragrances. Recently data demonstrated that growth suppression pr...

In chemico evaluation of skin metabolism: Investigation of eugenol and isoeugenol by electrochemistry coupled to liquid chromatography and mass spectrometry.

J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 913-914 , 106-12, (2013)

Skin sensitization is initiated by the modification of proteins located in the skin. After oxidative activation, eugenol and isoeugenol have the potential to modify skin proteins and therefore cause s...