4-Methoxybenzyl acetate

HCID 7695CAS 104-21-2

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Basic information

Standard SMILES: COc1ccc(COC(C)=O)cc1
InChIKey: HFNGYHHRRMSKEU-UHFFFAOYSA-N
Molecular formula: C10H12O3
Average molar mass: 180.203 g/mol
Monoisotopic mass: 180.07864424

Names & identifiers

Preferred name: 4-Methoxybenzyl acetate
IUPAC: (4-Methoxyphenyl)methyl acetate
English name: Anisyl acetate
Molecular formula: C10H12O3
Molecular weight: 180.2

Names & synonyms

p-methoxybenzylPara Anisyl Acetate4-METHOXYBENZYL ACETATEp-anisyl acetateBENZENEMETHANOL, 4-METHOXY-, ACETATECassie ketoneP-METHOXYBENZYL ACETATEFEMA 2098ANISYLACETATANISYL ACETATE

Database identifiers

CAS: 104-21-2、1331-83-5
PubChem CID: 7695
DTXSID: DTXSID1044770
ChEMBL: CHEMBL3184606
ChEBI: CHEBI:193729
UNII: 2GEC7KBO31
EC Number: 203-185-8、215-562-4
Nikkaji: J31.561C

Properties

Physicochemical properties

Melting point: 84 °C · 84 °C
Boiling point: 137 · 137-139 °C12 mm Hg(lit.)
Density: 1.107 g/mL · 1.107 g/mL at 25 °C(lit.)
vapor pressure: 12 Pa · 12Pa at 20℃
refractive index: 20 · n20/D 1.513(lit.)
FEMA: 2098 · 2098 | P-ANISYL ACETATE
FLAVIS Number: 9.019 · 09.019 | p-Anisyl acetate
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Almost colorless
Odor: 100 % · at 100.00 %. sweet powdery balsam vanilla fruity plum cherry tonka
Odor Type: powdery
biological source: synthetic
Water Solubility: 1.982 g/L · 1.982g/L(25 ºC)
JECFA Number: 873 · 873
Major Application: flavors and fragrances
Cosmetics Ingredients Functions: PERFUMING
InChI: 1S/C10H12O3/c1-8(11)13-7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
InChIKey: HFNGYHHRRMSKEU-UHFFFAOYSA-N
SMILES: COc1ccc(COC(C)=O)cc1
LogP: 1.9 at · 1.9 at 35℃
CAS DataBase Reference: 104 · 104-21-2(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS): ANISYL ACETATE
FDA 21 CFR: 172.515 · 172.515
EWG's Food Scores: 1 · 1
FDA UNII: 2 GEC7KBO31 · 2GEC7KBO31
NIST Chemistry Reference: 4 · Benzenemethanol, 4-methoxy-, acetate(104-21-2)
EPA Substance Registry System: 4 · 4-Methoxybenzenemethanol, acetate (104-21-2)
UNSPSC Code: 12164502 · 12164502
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H317-H319-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 24 · 24/25-36-26
WGK Germany: 2 · 2
TSCA: TSCA listed
HS Code: 29153900 · 29153900
Storage Class: 10 · 10 - Combustible liquids
REACH Registrations: Active

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 2
tsca: TSCA listed
hs_code: 29153900
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 24/25-36-26
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H317-H319-H335
REACH Registrations: Active
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Applications

OccurrenceReported found in vanilla and currants.

UsesPerfumery, flavoring.

Preparation methods

PreparationMay be prepared by the reaction of anisic alcohol with acetic anhydride

Upstream & downstream products

Upstream raw materials

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]

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]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

山东海舟生物工程有限公司130-0567-0367 13006570367 · [email protected]

Additional notes

DefinitionChEBI: 4-Methoxybenzyl acetate is a carboxylic ester. It is functionally related to a benzyl alcohol.

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