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93-29-8

93-29-8 Structure

93-29-8 Structure
IdentificationMore
[Name]

1-ACETOXY-2-METHOXY-4-(1-PROPENYL)BENZENE
[CAS]

93-29-8
[Synonyms]

1-ACETOXY-2-METHOXY-4-(1-PROPENYL)BENZENE
2-METHOXY-4-(1-PROPENYL)PHENYL ACETATE
2-METHOXY-4-(PROPENYL-1)-PHENYL ACETATE
2-METHOXY-4-PROPENYLPHENYL ACETATE
4-ACETOXY-3-METHOXY-1-PROPENYLBENZENE
ACETIC ACID ISOEUGENYL ESTER
ACETO-ISO-EUGENOL
ACETYL ISOEUGENOL
FEMA 2470
ISO-EUGENOL ACETATE
ISOEUGENYL ACETATE
2-methoxy-4-(1-propenyl)-phenoacetate
2-Methoxy-4-(propen-1-yl)-phenylacetate
2-Methoxy-4-[(1E)-1-propenyl]phenyl acetate
2-methoxy-4-propenyl-phenoacetate
3-Methoxy-4-acetoxy-propenylbenzene
Acetisoeugenol
Phenol, 2-methoxy-4-propenyl-, acetate
Phenol,2-methoxy-4-(1-propenyl)-,acetate
2-methoxy-4-prop-1-enylphenyl acetate
[EINECS(EC#)]

202-236-1
[Molecular Formula]

C12H14O3
[MDL Number]

MFCD00026984
[Molecular Weight]

206.24
[MOL File]

93-29-8.mol
Chemical PropertiesBack Directory
[Melting point ]

79-81 °C (lit.)
[Boiling point ]

283 °C
[density ]

1.1492 (rough estimate)
[FEMA ]

2470
[refractive index ]

1.5080 (estimate)
[Fp ]

153°F
[storage temp. ]

-20°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White crystals
[Odor]

clove odor
[biological source]

synthetic
[Odor Type]

spicy
[JECFA Number]

1262
[Stability:]

Hygroscopic, Light Sensitive
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+
[InChIKey]

IUSBVFZKQJGVEP-SNAWJCMRSA-N
[SMILES]

COc1cc(\C=C\C)ccc1OC(C)=O
[LogP]

2.54
[CAS DataBase Reference]

93-29-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Phenol, 2-methoxy-4-(1-propenyl)-, acetate(93-29-8)
[EPA Substance Registry System]

93-29-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

SL7940000
[TSCA ]

TSCA listed
[Storage Class]

11 - Combustible Solids
[Safety Profile]

Moderately toxic by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
[Toxicity]

LD50 orl-rat: 3450 mg/kg FCTXAV 13,681,75
Raw materials And Preparation ProductsBack Directory
[Raw materials]

ISOEUGENOL
Questions And AnswerBack Directory
[Description]

Acetyl Isoeugenol is used as an alcohol-soluble flavoring agent with spicy, floral, and carnation undertones, blending well with vanilla-type flavors. It lasts longer in perfume than other comparable agents such as dihydroeugenol and methyl diantilis, giving body to the scent. It can be used as an alternative to products such as dianthine, which degrades into isoeugenol – which can cause hives in some individuals from long-term exposure, and has thus been deemed non-IFRA (International Fragrance Association) compliant.
[Sources]

http://www.abchemicalindustries.com/acetyl-iso-eugenol-2394883.html
http://www.basenotes.net/threads/413562-Iso-Eugenol-replacer
http://www.organicaaroma.com/products/synthetic/acetyl-iso-eugenol
https://en.wikipedia.org/wiki/Isoeugenol
http://www.basenotes.net/threads/407876-Vintage-Dianthine-Base-Formula
Hazard InformationBack Directory
[Chemical Properties]

Isoeugenyl acetate has a weak, rose–carnation, somewhat spicy, clove-like odor and an initially burning, then sweet, taste.
[Chemical Properties]

White solid
[Occurrence]

Has apparently not been reported to occur in nature
[Uses]

Isoeugenyl acetate is a useful building block extracted from the essential oils of Alpinia galanga and Zingiber officinale. Isoeugenyl acetate has antibacterial properties towards B. subtilis, E. coli and S. aureus.
[Definition]

ChEBI: Isoeugenol acetate is a phenylpropanoid that is the acetate ester of trans-isoeugenol. It is a phenylpropanoid, a monomethoxybenzene and a member of phenyl acetates. It is functionally related to a trans-isoeugenol.
[Preparation]

From isoeugenol and acetic acid by esterification.
[Metabolism]

The hydrolysis of ester linkages of foreign compounds may be catalysed by many different esterases, which are to be found in all animals and bacteria and which generally have a low degree of substrate specificity(Parke, 1968).
Spectrum DetailBack Directory
[Spectrum Detail]

1-ACETOXY-2-METHOXY-4-(1-PROPENYL)BENZENE(93-29-8)MS
1-ACETOXY-2-METHOXY-4-(1-PROPENYL)BENZENE(93-29-8)1HNMR
1-ACETOXY-2-METHOXY-4-(1-PROPENYL)BENZENE(93-29-8)IR1
1-ACETOXY-2-METHOXY-4-(1-PROPENYL)BENZENE(93-29-8)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

93-29-8(sigmaaldrich)
[TCI AMERICA]

1-Acetoxy-2-methoxy-4-(1-propenyl)benzene,>98.0%(GC)(93-29-8)
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