Methyl Benzoate

HCID 7150CAS 93-58-3

기본 정보

표준 SMILES
COC(=O)c1ccccc1
InChIKey
QPJVMBTYPHYUOC-UHFFFAOYSA-N
분자식
C8H8O2
평균 분자량
136.15 g/mol
단동위원소 질량
136.05242949

이름 및 식별자

우선 이름
Methyl Benzoate
IUPAC
methyl benzoate
현지명
안식향산메틸
영어명
Methyl benzoate
분자식
C8H8O2
분자량
136.15

이름 및 동의어

METHYL BENZOATE93-58-3benzoic acid methyl esterMethylbenzoateBenzoic acid, methyl esterCloriusMethyl benzenecarboxylateEssence of niobeFEMA No. 2683Methylester kyseliny benzooveDTXSID50255726618K1VJ9T
이름 더 보기
벤조산메틸메틸벤조에이트안식향산메틸메틸벤조에이트메틸 벤조에이트FEMA 2683NIOBE OILMethylbenzoatOilofmiobeOniobe oilOIL OF NIOBESlethylbenzoat
NSC-9394DTXCID405572CHEBI:72775RefChem:6019202-259-7Oxidate leNSC 9394MFCD00008421

데이터베이스 식별자

CAS
93-58-3
PubChem CID
7150
DTXSID
DTXSID5025572
ChEMBL
CHEMBL16435
ChEBI
CHEBI:72775
UNII
6618K1VJ9T
EC Number
202-259-7
Nikkaji
J9.149I

물성

구조 계산 물성

XLogP
2.1
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
10

물리화학적 성질

녹는점
-12 °C · -12 °C (lit.)
끓는 점
198 · 198-199 °C (lit.)
밀도
1.088 g/mL · 1.088 g/mL at 20 °C (lit.)
증기 밀도
4.68 · 4.68 (vs air)
증기압
1 mm · <1 mm Hg ( 20 °C)
굴절률
20 · n20/D 1.516(lit.)
화학적 성질 · 1건

Methyl benzoate is a colorless, oily, transparent liquid with a pleasant, fruity odor similar to ylang-ylang. It is soluble in methanol and ether, insoluble in water and glycerin, and miscible with ether. It is used in perfume bases such as ylang-ylang and tuberose types.

안전 및 규제

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
DH3850000
ridadr
UN 2938
독성
LD50 orally in rats: 3.43 g/kg (Smyth)
HS 번호
29163100

화학 및 산업

응용 분야 · 3건

개요Methyl benzoate is an organic compound. It is an ester with the chemical formula C6H5CO2CH3. It is a colorless liquid that is poorly soluble in water, but miscible with organic solvents. Methyl benzoate has a pleasant smell, strongly reminiscent of the fruit of the feijoa tree, and it is used in perfumery. It also finds use as a solvent and as a pesticide used to attract insects such as orchid bees.

출처Methyl benzoate can be isolated from the freshwater fern Salvinia molesta. It is one of many compounds that is attractive to males of various species of orchid bees, which apparently gather the chemical to synthesize pheromones; it is commonly used as bait to attract and collect these bees for study. Cocaine hydrochloride hydrolyzes in moist air to give methyl benzoate; drug - sniffing dogs are thus trained to detect the smell of methyl benzoate.

일반 설명A crystalline solid or a solid dissolved in a liquid. Denser than water. Contact may slightly irritate skin, eyes and mucous membranes. May be slightly toxic by ingestion. Used to make other chemicals.

제조 방법 · 1건

Methyl benzoate is manufactured by heating benzoic acid and dimethyl sulfate to high temperature, or by exchange between ethyl benzoate and methanol in KOH solution. It may also be produced by the alcoholysis of benzonitrile. It is a by-product of ozonolysis of water.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [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]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Syntechem Co.,Ltd[email protected]

추가 설명

정의ChEBI: Methyl benzoate is a benzoate ester obtained by condensation of benzoic acid and methanol. It has a role as a metabolite and an insect attractant. It is a benzoate ester and a methyl ester.

관련 반응

218건

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