포름산벤질에스테르

Benzyl formate

HCID 7708CAS 104-57-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=COCc1ccccc1
InChIKey
UYWQUFXKFGHYNT-UHFFFAOYSA-N
분자식
C8H8O2
평균 분자량
136.15 g/mol
단동위원소 질량
136.0524295

개요

Benzylformate is a carboxylic ester. It is functionally related to a benzyl alcohol.

이름 및 식별자

우선 이름
Benzyl formate
IUPAC
benzyl formate
현지명
포름산벤질에스테르
영어명
Benzyl formate
분자식
C8H8O2
분자량
136.15

이름 및 동의어

Benzyl formate104-57-4Benzyl methanoatePhenylmethyl formateFormic acid, phenylmethyl esterBenzyl alcohol, formateFormic acid, benzyl esterFEMA No. 2145NSC-804979GJF97O0YDTXSID5059298RefChem:118869
이름 더 보기
벤질폼에이트포름산벤질에스테르벤질 폼에이트FEMA 2145jiasuanbianzhiNSC 8049BenzylformiatN-BENZYL FORMATEBenzylFormate>Benzyl methanoater
DTXCID7032846203-214-4FORMIC ACID BENZYL ESTERBenzyl formiatBenzylester kyseliny mravenciFormic acid-benzyl esterUNII-79GJF97O0YMFCD00014128

데이터베이스 식별자

CAS
104-57-4
PubChem CID
7708
DTXSID
DTXSID5059298
ChEBI
CHEBI:3057
UNII
79GJF97O0Y
EC Number
203-214-4
Nikkaji
J53.979A

물성

구조 계산 물성

XLogP
1.6
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
10

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Benzyl formate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.082-1.092
Flavoring AgentsEU Flavoring substances

물리화학적 성질

녹는점
3.6 ℃ · 3.6℃
끓는 점
203 °C · 203 °C(lit.)
밀도
1.088 g/mL · 1.088 g/mL at 25 °C(lit.)
증기압
1.69 hPa · 1.69hPa at 20℃
FEMA
2145 · 2145 | BENZYL FORMATE
굴절률
20 · n20/D 1.511(lit.)

화학적 성질

Benzyl formate has an intense, pleasant, floral-fruity odor and sweet taste reminiscent of apricot and pineapple.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1737 reports by companies from 8 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: Formic acid, phenylmethyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16783

Formic acid, phenylmethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Formic acid, phenylmethyl ester: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (> 99.9%)

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
LQ5400000
ridadr
NA 1993 / PGIII
독성
LD50 orl-rat: 1400 mg/kg FCTXAV 11,1019,73
HS 번호
29151300

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationFormic acid, phenylmethyl ester: ACTIVE
응용 분야 · 2건

출처Reported found in the oil of Rosa rugosa, sour cherry, American cranberry, ligonberry, coffee, black tea, Agaricus mushroom, Ocimum basilicum, Bourbon vanilla and crowberry (Empetrum nigrum Coll.).

용도Solvent for cellulose esters; in perfumery.It has a very sweet taste, more fruity than floral, spicy Banana-type. It is used quite frequently in perfume compositions, for floral bases such as Jasmin, Gardenia, NeroIi, Hyacinth, Carnation, and Fougeres and used in flavour compositions for imitation: Apricot, Banana, Cherry, Chocolate, Honey, Liquor, Nut, Peach, Plum, Prune, Pineapple, etc. Concentrations are usually about 12-15 ppm in the finished product. In chewing gum, the concentration may be as high as 35 ppm.

제조 방법

By heating a mixture of formic/acetic anhydride and benzyl alcohol to 50°C; by passing a mixture of formic acid and excess benzyl alcohol over a catalyst (ThO2 or TiO2) at high temperature.

상·하류 제품 정보

공급사50 곳

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广州纳珑化工有限公司13192879270; 13192879270 · [email protected]

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