phenyl propyl valerate
pentanoic acid, 3-phenylpropyl ester

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  CODE105856 CODE105856
  Product(s):
  5451-88-7 3-Phenylpropyl valerate

Name: 3-phenylpropyl pentanoate CAS Number: 5451-88-7 3D/inchi ECHA EINECS - REACH Pre-Reg: 226-690-5 FDA UNII: 8528917KSG Nikkaji Web: J155.082I XlogP3: 3.90 (est) Molecular Weight: 220.31180000 Formula: C14 H20 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavor and fragrance agents   US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: Google Scholar: Search Google Books: Search Google Scholar: with word "volatile" Search Google Scholar: with word "flavor" Search Google Scholar: with word "odor" Search Perfumer and Flavorist: Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search   Physical Properties: Appearance: colorless to pale yellow clear oily liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Boiling Point: 285.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.000482 mmHg @ 25.00 °C. (est) Flash Point: 246.00 °F. TCC ( 118.89 °C. ) logP (o/w): 4.375 (est) Soluble in:   alcohol   water, 4.582 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note allyl valerate allyl isovalerate amyl valerate amyl isovalerate isoamyl valerate isoamyl isovalerate para-anisyl isovalerate para-anisyl valerate benzyl valerate benzyl isovalerate bornyl valerate bornyl isovalerate (-)-bornyl isovalerate isobornyl isovalerate S-sec-butyl thioisovalerate butyl valerate butyl isovalerate isobutyl valerate isobutyl isovalerate carvyl isovalerate cinnamyl valerate cinnamyl isovalerate citronellyl valerate citronellyl isovalerate para-cresyl valerate para-cresyl isovalerate cyclohexyl valerate cyclohexyl isovalerate cyclotene isovalerate decyl valerate decyl isovalerate ethyl valerate ethyl isovalerate eugenyl isovalerate furfuryl isovalerate furfuryl valerate geranyl valerate geranyl isovalerate (E)-2-hepten-1-yl isovalerate heptyl isovalerate sec-heptyl isovalerate heptyl valerate (E)-2-hexen-1-yl valerate (E)-2-hexen-1-yl isovalerate (Z)-3-hexen-1-yl valerate (Z)-3-hexen-1-yl isovalerate hexyl valerate hexyl isovalerate linalyl valerate linalyl isovalerate menthyl valerate menthyl isovalerate methyl 2-methyl valerate methyl 4-methyl valerate 2-methyl butyl isovalerate 4-methyl pentyl isovalerate methyl thio isovalerate methyl valerate methyl isovalerate myrtenyl isovalerate neryl isovalerate nonyl isovalerate nonyl valerate octyl valerate octyl isovalerate phenethyl isovalerate 2-phenethyl valerate 3-phenyl propyl isovalerate S-prenyl thioisovalerate isopropyl thioisovalerate propyl valerate propyl isovalerate isopropyl valerate isopropyl isovalerate rhodinyl isovalerate terpinyl isovalerate terpinyl valerate   Organoleptic Properties: Odor Type: fruity fruity strawberry floral Odor Description:at 100.00 %. fruity strawberry floral Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 3-Phenylpropyl valerate   Safety Information:   Hazards identification   Classification of the substance or mixture GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) None found. GHS Label elements, including precautionary statements   Pictogram   Hazard statement(s) None found. Precautionary statement(s) None found. Oral/Parenteral Toxicity: Not determined Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavor and fragrance agents RIFM Fragrance Material Safety Assessment: Search IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice Recommendation for phenyl propyl valerate usage levels up to:   5.0000 % in the fragrance concentrate.     Safety References: EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :79546 National Institute of Allergy and Infectious Diseases:Data 3-phenylpropyl pentanoate Chemidplus:0005451887   References:   3-phenylpropyl pentanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 5451-88-7 Pubchem (cid): 79546 Pubchem (sid): 135037382   Other Information: (IUPAC): Atomic Weights of the Elements 2011 (pdf) Videos: The Periodic Table of Videos tgsc: Atomic Weights use for this web site (IUPAC): Periodic Table of the Elements HMDB (The Human Metabolome Database): Search Export Tariff Code: 2915.60.0000 ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these (E+Z)-4,8- dimethyl-3,7-nonadien-2-one FL/FR acidic acidic 2- methyl-2-pentenoic acid FL/FR balsamic benzyl cinnamate FL/FR cinnamyl formate FL/FR methyl (E)-cinnamate FL/FR methyl cinnamate FL/FR caramellic ethyl maltol FL/FR maltyl isobutyrate FL/FR strawberry furanone FL/FR citrus 2- heptanol FL/FR fatty butyl undecylenate FL/FR 4- ethyl octanoic acid FL/FR fermented methyl decanoate FL/FR floral acetal 318 FR iso amyl angelate FL/FR alpha- amyl cinnamaldehyde FL/FR benzyl acetate FL/FR benzyl acetoacetate FL/FR benzyl formate FL/FR citronellyl butyrate FL/FR citronellyl hexanoate FL/FR citronellyl propionate FL/FR (E)- citronellyl tiglate FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl acetate FL/FR geraniol FL/FR heliotropyl acetate FL/FR menthadienyl formate FR ortho- methoxybenzyl ethyl ether FR methoxymelonal FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR alpha-iso methyl ionone (90% min.) FL/FR methyl ionyl acetate FL/FR nerolin fragarol FL/FR 3- nonanon-1-yl acetate FL/FR orris rhizome concrete butter (iris pallida) FL/FR petitgrain lemon oil FL/FR phenethyl butyrate FL/FR phenethyl isobutyrate FL/FR phenethyl isovalerate FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR 4- phenyl-3-buten-2-ol FL/FR iso propyl benzoate FL/FR rose undecene FR star fruit oil cuba FL/FR terpinyl valerate FL/FR tetrahydroionyl acetate FR fruity acetyl methyl anthranilate FL/FR benzaldehyde / methyl anthranilate schiff's base FR berry hexanoate FR berry pentadienoate FL/FR iso butyl anthranilate FL/FR iso butyl furyl propionate FL/FR iso butyl-3-(methyl thio) butyrate FL/FR citronellyl isobutyrate FL/FR (Z)-beta- damascone FL/FR beta- damascone FL/FR (E)-beta- damascone FL/FR ethyl levulinate FL/FR fruity ketal FL/FR heptyl isobutyrate FL/FR hexyl isovalerate FL/FR leather propionate FR maltyl butyrate FL/FR 3- mercaptohexyl acetate FL/FR methyl (Z)-3-hexenoate FL/FR methyl isobutyrate FL/FR methyl propionate FL/FR (E)-2- methyl-2-pentenoic acid FL/FR (E)-7- methyl-3-octen-2-one FL/FR neryl isobutyrate FL/FR 3- phenyl propyl isovalerate FL/FR propyl heptanoate FL/FR rhubarb pyran FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR strawberry glycidate 2 FL/FR (S)- styralyl acetate FL/FR 4-(para- tolyl)-2-butanone FL/FR tropical ionone FL/FR green acetaldehyde methyl hexyl acetal FR iso amyl 3-(2-furan) propionate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR hexoxyacetaldehyde dimethyl acetal FR herbal chamomile isobutyrate FR chamomile propionate FR chamomile valerate FR clary propyl acetate FR methyl cyclogeranate (Firmenich) FR powdery alpha- methyl ionone FL/FR spicy para- anisyl formate FL/FR woody 2- decalinyl acetate FR For Flavor No flavor group found for these 1- acetyl cyclohexyl acetate FL amyl angelate FL iso amyl angelate FL/FR 2- butyl thiophene FL iso butyl-3-(methyl thio) butyrate FL/FR 2,4- difurfuryl furan FL S-(2,5- dimethyl-3-furyl) ethane thioate FL (E+Z)-4,8- dimethyl-3,7-nonadien-2-one FL/FR methyl (E)-cinnamate FL/FR methyl benzyl acetate (mixed ortho-,meta-,para-) FL/FR (E)-2- methyl-2-pentenoic acid FL/FR 1- phenyl propyl butyrate FL/FR 2- phenyl propyl isobutyrate FL/FR 3- phenyl propyl isovalerate FL/FR iso propyl benzoate FL/FR (S)- styralyl acetate FL/FR iso amyl 3-(2-furan) propionate FL/FR benzyl acetoacetate FL/FR iso butyl furyl propionate FL/FR beta- damascone FL/FR berry berry heptyl isobutyrate FL/FR maltyl butyrate FL/FR burnt ethyl 2-furoate FL caramellic ethyl maltol FL/FR strawberry furanone FL/FR citrus petitgrain lemon oil FL/FR ethereal methyl isobutyrate FL/FR fatty 4- ethyl octanoic acid FL/FR methyl decanoate FL/FR (E)-7- methyl-3-octen-2-one FL/FR floral citronellyl hexanoate FL/FR citronellyl propionate FL/FR dihydrojasmone FL/FR dimethyl benzyl carbinyl acetate FL/FR geraniol FL/FR heliotropyl acetate FL/FR alpha-iso methyl ionone (90% min.) FL/FR orris rhizome concrete butter (iris pallida) FL/FR tropical ionone FL/FR fruity acetyl methyl anthranilate FL/FR benzyl acetate FL/FR benzyl formate FL/FR berry pentadienoate FL/FR iso butyl anthranilate FL/FR citronellyl butyrate FL/FR citronellyl isobutyrate FL/FR (E)-beta- damascone FL/FR (Z)-beta- damascone FL/FR ethyl levulinate FL/FR fruity ketal FL/FR 2- heptanol FL/FR 2- hexyl-4-acetoxytetrahydrofuran FL methoxymelonal FL/FR methyl (Z)-3-hexenoate FL/FR methyl 4-phenyl butyrate FL alpha- methyl ionone FL/FR methyl propionate FL/FR nerolin fragarol FL/FR neryl isobutyrate FL/FR 3- nonanon-1-yl acetate FL/FR phenethyl butyrate FL/FR phenethyl isovalerate FL/FR 2- phenyl-4-pentenal FL star fruit oil cuba FL/FR strawberry glycidate 1 (aldehyde C-16 (so-called)) FL/FR strawberry glycidate 2 FL/FR terpinyl valerate FL/FR 4-(para- tolyl)-2-butanone FL/FR green (E)- citronellyl tiglate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR hexyl isovalerate FL/FR honey phenethyl isobutyrate FL/FR jammy maltyl isobutyrate FL/FR sour 2- methyl-2-pentenoic acid FL/FR spicy para- anisyl formate FL/FR benzyl cinnamate FL/FR cinnamyl formate FL/FR methyl cinnamate FL/FR tropical alpha- amyl cinnamaldehyde FL/FR 3- mercaptohexyl acetate FL/FR waxy butyl undecylenate FL/FR 4- phenyl-3-buten-2-ol FL/FR propyl heptanoate FL/FR woody methyl ionyl acetate FL/FR   Potential Uses: FR rose red rose FR strawberry   Occurrence (nature, food, other):note   not found in nature   Synonyms:   pentanoic acid 3-phenyl propyl ester   pentanoic acid, 3-phenylpropyl ester 3- phenyl propyl pentanoate 3- phenyl propyl valerate 3- phenylpropyl pentanoate 3- phenylpropyl valerate   valeric acid, 3-phenylpropyl ester   Articles:   None found yet. 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Notes: Red rose reproductions.