| 2D: |  |
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| 3D: | |
| CAS Number: | 136-60-7 |
| ECHA EC Number: | 205-252-7 |
| FDA UNII: | 1TGZ0D0O8I |
| CoE Number: | 740 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | butyl benzoate |
| InChI : | InChI=1/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| Std.InChI: | InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
| InChIKey : | XSIFPSYPOVKYCO-UHFFFAOYAS |
| Std.InChIKey: | XSIFPSYPOVKYCO-UHFFFAOYSA-N |
| SMILES : | CCCCOC(=O)C1=CC=CC=C1 |
| MDL: | MFCD00009439 |
| Molar Refractivity : | 51.92 ± 0.3 cm3 (est) |
| Parachor : | 431.4 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.498 ± 0.02 (est) |
| Surface Tension : | 35.4 ± 3.0 dyne/cm (est) |
| Density : | 1.007 ± 0.06 g/cm3 (est) |
| Polarizability : | 20.58 ± 0.5 10-24cm3 (est) |
| 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 |
| DG SANTE Food Flavourings: | 09.779 butyl benzoate |
| DG SANTE Food Contact Materials: | butyl benzoate |
| FDA Mainterm (IAUFC): | 136-60-7 ; BUTYL BENZOATE |
| FDA Regulation: | |
| FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS Subpart B--Substances for Use Only as Components of Adhesives Sec. 175.105 Adhesives. | |
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.00300 to 1.00900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.346 to 8.396 |
| Refractive Index: | 1.49500 to 1.49900 @ 20.00 °C. |
| Melting Point: | -22.00 to -21.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 127.00 °C. @ 20.00 mm Hg |
| Boiling Point: | 249.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.022000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 6.1 ( Air = 1 ) |
| Flash Point: | 223.00 °F. TCC ( 106.11 °C. ) |
| logP (o/w): | 3.840 |
| Soluble in: | |
| alcohol | |
| water, 59 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | fragrance preservatives |
| Bell Flavors & Fragrances |
| Butyl Benzoate |
| BOC Sciences |
| For experimental / research use only. |
| Butyl Benzoate |
| EMD Millipore |
| For experimental / research use only. |
| Butyl Benzoate |
| Ernesto Ventós |
| BUTYL BENZOATE Odor: FLORAL, BALSAMIC |
| Global Essence |
| Butyl Benzoate |
| Inoue Perfumery |
| BUTYL BENZOATE |
| Lluch Essence |
| BUTYL BENZOATE 98% Odor: FRUITY, BALSAMIC, HERBACEOUS |
| M&U International |
| NAT. BUTYL BENZOATE |
| Penta International |
| BUTYL BENZOATE |
| R C Treatt & Co Ltd |
| Butyl Benzoate |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Butyl Benzoate |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Butyl Benzoate 99% |
| Synerzine |
| Butyl Benzoate |
| TCI AMERICA |
| For experimental / research use only. |
| Butyl Benzoate >99.0%(GC) |
| Ungerer & Company |
| Butyl Benzoate 98+% |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing and eye/face protection. | |
| 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: | |
| gavage-mouse LD50 [sex: M,F] 3450 mg/kg (Bier, 1979) gavage-rat LD50 [sex: M,F] 5140 mg/kg Dose range-finding study. (Smyth et al., 1954) oral-mouse LD50 3450 mg/kg GASTROINTESTINAL: OTHER CHANGESBLOOD: HEMORRHAGEBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD National Technical Information Service. Vol. OTS0539230 oral-rat LD50 735 mg/kg Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 2, Pg. 7, 1975. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 4000 mg/kg Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 2, Pg. 7, 1975. | |
| Inhalation Toxicity: | |
| Not determined | |
| 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 | |||
| limits in the finished product for - "leave on the skin contact": | |||
| 0.5000 % Recommendation. | |||
| limits in the finished product for - "wash off the skin contact": | |||
| 0.5000 % Recommendation. | |||
| limits in the finished product for - "no skin contact": | |||
| 6.0000 % Recommendation. | |||
| Recommendation for butyl benzoate usage levels up to: | |||
| 6.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.70 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23 View page or View pdf |
| Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters evaluated by EFSA in FGE.20 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 View page or View pdf |
| Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):136-60-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8698 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| butyl benzoate |
| Chemidplus:0000136607 |
| RTECS:DG4925000 for cas# 136-60-7 |
| butyl benzoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 136-60-7 |
| Pubchem (cid): | 8698 |
| Pubchem (sid): | 134973212 |
| Flavornet: | 136-60-7 |
| Pherobase: | View |
| (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 |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C14709 |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB008741 |
| Export Tariff Code: | 2916.30 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Formulations/Preparations: •grades: technical.•it shows a purity of not less than 98%. | |
| champaca concrete @ trace% Data GC Search Trop Picture | |
| galangal lesser galangal - 200 mg/kg Search Trop Picture | |
| galangal root oil @ 0.02% Data GC Search Trop Picture | |
| jasmin absolute china @ 0.10% Data GC Search Trop Picture | |
| papaya fruit - up to 0.05 mg/kg Search Trop Picture | |
| plum hog plum - 2 mg/kg Search PMC Picture | |
| strawberry wild strawberry fruit Search Trop Picture | |
| witch hazel leaf oil @ trace% Data GC Search Trop Picture | |
| ylang ylang oil @ 0.08% Data GC Search Trop Picture |
| anthrapole AZ | |
| benzoic acid butyl ester | |
| benzoic acid N-butyl ester | |
| benzoic acid, butyl ester | |
| N- | butyl benzoate |
| N- | butylbenzoate |
| dai cari XBN |
