Benzyl butyrate

HCID 7650CAS 103-37-7

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Basic information

Standard SMILES: CCCC(=O)OCc1ccccc1
InChIKey: VONGZNXBKCOUHB-UHFFFAOYSA-N
Molecular formula: C11H14O2
Average molar mass: 178.231 g/mol
Monoisotopic mass: 178.09937969

Names & identifiers

Preferred name: Benzyl butyrate
IUPAC: Benzyl butanoate
English name: Benzyl butyrate
Molecular formula: C11H14O2
Molecular weight: 178.23

Names & synonyms

BENZYL BUTANOATEFEMA 2140Benzyl blltyrateBENZYL N-BUTYRATEBUTYRIC ACID BENZYL ESTERN-BUTYRIC ACID BENZYL ESTERBenzylbutyratBcnzylbutyratBENZYL BUTYRATEBENZYL N-BUTANOATE

Database identifiers

CAS: 103-37-7
PubChem CID: 7650
DTXSID: DTXSID7047510
ChEMBL: CHEMBL3183179
ChEBI: CHEBI:173824
UNII: 84L0NDE31F
EC Number: 203-105-1
Nikkaji: J35.107E

Properties

Physicochemical properties

Boiling point: 240 °C · 240 °C (lit.)
Density: 1.009 g/mL · 1.009 g/mL at 25 °C (lit.)
vapor pressure: 11.97 hPa · 11.97 hPa (109 °C)
FEMA: 2140 · 2140 | BENZYL BUTYRATE
refractive index: 20 · n20/D 1.494(lit.)
FLAVIS Number: 9.051 · 09.051 | Benzyl butyrate
Flash point: 225 °F · 225 °F
storage temp.: 30 °C · Store below +30°C.
form: clear liquid
color: Colorless liquid
Odor: floral plum-like odor
Odor Type: fruity
biological source: synthetic
Water Solubility: 136 mg/L · 136mg/L
JECFA Number: 843 · 843
BRN: 2047625 · 2047625
Dielectric constant: 4.55 · 4.5499999999999998
Major Application: flavors and fragrances
Cosmetics Ingredients Functions: PERFUMING
InChI: 1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
InChIKey: VONGZNXBKCOUHB-UHFFFAOYSA-N
SMILES: CCCC(=O)OCc1ccccc1
LogP: 3.127 at · 3.127 at 25℃
CAS DataBase Reference: 103 · 103-37-7(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS): BENZYL BUTYRATE
FDA 21 CFR: 172.515 · 172.515
EWG's Food Scores: 1 · 1
FDA UNII: 84 L0NDE31F · 84L0NDE31F
NIST Chemistry Reference: Butanoic acid, phenylmethyl ester(103-37-7)
EPA Substance Registry System: Butanoic acid, phenylmethyl ester (103-37-7)
UNSPSC Code: 12352108 · 12352108
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 303 · H303
Precautionary statements: 270 · P270-P301+P312-P403-P501c
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Safety Statements: 24 · 24/25
WGK Germany: 2 · 2
RTECS: 7350000 · ES7350000
TSCA: TSCA listed
HS Code: 29156000 · 29156000
Storage Class: 10 · 10 - Combustible liquids
Toxicity: 50 orally · LD50 orally in Rabbit: 2330 mg/kg LD50 dermal Rabbit > 5000 mg/kg
REACH Registrations: Active

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 2
tsca: TSCA listed
rtecs: ES7350000
hs_code: 29156000
Toxicity: LD50 orally in Rabbit: 2330 mg/kg LD50 dermal Rabbit > 5000 mg/kg
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H303
REACH Registrations: Active
Precautionary statements: P270-P301+P312-P403-P501c

Chemistry & industry

Applications · 3 items

OccurrenceReported found in papaya, black tea, Passiflora edulis juice, cherimoya (Annona cheremolia Mill.), Bourbon vanilla, mountain papaya and hog plum (Spondias mombins L.).

UsesBenzyl Butyrate is a pesticidal compound.

UsesPlasticizer, odorants, flavoring.

Preparation methods

PreparationBy heating benzyl chloride and sodium butyrate in water or butyric acid and benzyl chloride under pressure.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Additional notes

DefinitionChEBI: Phenylmethyl butanoate is a carboxylic ester. It is functionally related to a benzyl alcohol.

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