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| IUPAC name : | 3-methylbutyl acetate |
| InChI : | InChI=1/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3 |
| InChIKey : | MLFHJEHSLIIPHL-UHFFFAOYAI |
| SMILES : | CC(C)CCOC(=O)C |
| cas number : | 123-92-2 |
| (EINECS) number : | 204-662-3 |
| eu annex : | 607-130-00-2 |
| beilstein number : | 1744750 |
| fema number : | 2055 |
| coe number : | 214 |
| jecfa number : | 43 |
| fl. number : | 09.024 |
| molar refractivity : | 36.21 ± 0.3 cm3 |
| parachor : | 332.7 ± 4.0 cm3 |
| index of refraction : | 1.404 ± 0.02 |
| surface tension : | 25.5 ± 3.0 dyne/cm |
| density : | 0.879 ± 0.06 g/cm3 |
| polarizability : | 14.35 ± 0.5 10-24cm3 |
| XlogP : | 2.10 |
| molecular weight : | 130.1848600 |
| formula : | C7 H14 O2 |
| BioActivity Analysis : | 17388971 |
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| export tariff code : | 2915.39.4550 |
| fda reg : | 172.515 |
Suppliers :
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| Advanced Biotech : | isoamyl acetate
97% min. natural Odor: Banana |
| BASF : | iso-Amyl acetate
≥ 98% (CGC) Odor: Intensive fresh, fruity, reminis-cent of pears and bananas when diluted |
| Berje : | isoAmyl Acetate
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| Berje : | isoAmyl Acetate
Natural |
| Cargill - Alfrebro : | ISOAMYL ACETATE (EU NAT)
natural, Kosher |
| Cargill - Alfrebro : | ISOAMYL ACETATE
natural, Kosher |
| Citrus and Allied Essences : | isoamyl acetate
FCC |
| Citrus and Allied Essences : | isoamyl acetate
FCC (natural) |
| Elan : | isoamyl acetate
(natural), Kosher |
| Fleurchem : | isoamyl acetate
natural |
| Frutarom : | ISOAMYL ACETATE
≥99.00% (sum of isomers), NI, Kosher Odor: Banana, Fruity, Powerful, Sweet |
| Frutarom : | NATURAL ISOAMYL ACETATE
≥98.00% (sum of isomers), natural, Kosher Odor: Banana, Fruity, Powerful, Sweet |
| Grau Aromatics : | iso-AMYL-ACETATE
NI, Kosher |
| Mane : | isoamyl acetate
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| Moellhausen : | isoamyl acetate
60-90% min. nature identical kosher Odor: estery, fruity, banana, pear, sweet. |
| Mooreganics : | isoAmyl Acetate
Natural (Organic Compliant) |
| Penta : | isoamyl acetate
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| Penta : | isoamyl acetate
natural |
| Robertet : | Isoamyl acetate (single isomer) (3-methyl butyl acetate)
naturel |
| Robertet : | Isoamyl acetate
naturel |
| Sigma-Aldrich-SAFC : | Isoamyl acetate
≥95%, 70% isoamyl acetate basis, FCC, Kosher, FG Odor: banana; pear |
| Sigma-Aldrich-SAFC : | Isoamyl acetate
≥97%, natural, FCC, Kosher, FG Odor: banana; pear |
| Symrise : | Isoamyl acetate
natural Flavor: sweet, fruity, estery, banana-, pear-like |
| Ungerer : | isoAmyl Acetate
35% |
| Ungerer : | isoAmyl Acetate
65% |
| Ungerer : | isoAmyl Acetate
98% (Single Isomer) |
| Vigon : | Amyl Acetate Iso
FCC Mixed Isomers 65/35 |
| Vigon : | Isoamyl Acetate Pure 3-Methyl Butyl Acetate
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| Vigon : | Isoamyl Acetate
FCC Single Isomer |
| Vigon : | Isoamyl Acetate
Natural |
organoleptics :
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| odor type : | fruity |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | sweet fruity banana solvent |
| odor sample from : | Fritzsche Dodge & Olcott, Inc. |
| natural odor sample from : | Berje Inc. |
| substantivity : | < 1 hour(s) at 100.00 % |
properties :
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| appearence : | colorless clear liquid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.86000 to 0.87800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.156 to 7.306
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| refractive index : | 1.40000 to 1.40400 @ 20.00 °C.
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| melting point : | -78.00 °C. @ 760.00 mm Hg
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| boiling point : | 142.00 °C. @ 756.00 mm Hg
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| boiling point : | 30.00 °C. @ 2.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 5.60000 mm/Hg @ 25.00 °C. |
| vapor density : | 4.4 ( Air = 1 ) |
| flash point : | 77.00 °F. TCC ( 25.00 °C. )
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| logP (o/w) : | 2.26 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 10 - Flammable. R 66 - Repeated exposure may cause skin dryness or cracking. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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| Human experience : | 8 % solution: no irritation or sensitization |
| Oral Toxicity(LD50) : |
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Oral-Rat 16600.00 mg/kg YKYUA6 32,1241,1981
Oral-Rabbit 7422.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5.00 gm/kg NTIS** OTS0573010
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for isoamyl acetate usage levels up to : |
| | 25.0000 % in the fragrance concentrate.
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| recommendation for isoamyl acetate usage levels up to : |
| | 2700.0000 ppm in the flavor.
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safety references :
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| msds : | msds |
| EPI System : | view |
| NIOSH International Chemical Safety Cards : | search |
| NIOSH Pocket Guide : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1104 |
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| WGK Germany : | 1 |
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| | 3-methylbutyl acetate
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| (EINECS) number : | 204-662-3 |
| RTECS : | 123-92-2 |
| chemidplus : | 000123922 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 123-92-2 |
| dtp/nci : | 9260 |
references :
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| | 3-methylbutyl acetate
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| fl. number : | 09.024 |
| jecfa number : | 43 |
| NIST Chemistry WebBook : | 2463083215 |
| pubchem : | 173320 |
Cosmetics :
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| Cosmetic uses : |
masking agents
perfuming agents
solvents
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other :
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| reference : | Luebke, William tgsc, (1983)¹ |
| reference (natural) : | Luebke, William tgsc, (1982)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| | C of A |