펜에틸 벤조에이트

한글명:펜에틸 벤조에이트

카스 번호94-47-3

상품명:FEMA 2860

CBNumberCB1283363

분자식C15H14O2

포뮬러 무게226.27

MOL 파일94-47-3.mol

동의어(한글)

페네틸벤조산

펜에틸벤조에이트

페네틸벤조에이트

화학적 성질

끓는 점	182 °C12 mm Hg(lit.)
밀도	1.093 g/mL at 25 °C(lit.)
증기압	0.015Pa at 25℃
굴절률	n20/D 1.56(lit.)
FEMA	2860 \| PHENETHYL BENZOATE
인화점	>230 °F
용해도	Insoluble in water, soluble in alcohol and oils.
물리적 상태	액체
색상	무색의
냄새	100.00%에서. 부드러운 장미 발삼 꿀 꽃무늬
?? ??	꽃향기
수용성	207.21mg/L at 25℃
LogP	3.815 at 25℃
CAS 데이터베이스	94-47-3
EPA	Benzoic acid, 2-phenylethyl ester (94-47-3)

위험 및 안전 성명

WGK 독일

RTECS 번호

DH6288000

HS 번호

29163100

독성

The acute oral LD₅₀ in rats was reported to be 5 g/kg and the acute dermal LD₅₀ in rabbits exceeded 5 g/kg (Wohl 1974).

NFPA 704:

	1
1		0

그림문자(GHS)

펜에틸 벤조에이트 화학적 특성, 용도, 생산

화학적 성질
Clear colorless liquid
출처
Reported found in the essential oil from flowers of rose and orange, in bilberry, cinnamon leaf, cassia leaf, malay apple and sea buckthorn.
용도
Phenethyl Benzoate is a building block used in the synthetic preparation of esters using Bi(OTf)3 catalyzed acylation of alcohols with acid anhydrides.
제조 방법
From phenethyl alcohol and benzoyl chloride in the presence of NaOH; from phenylethyl alcohol and methylbenzoate; by esterification of phenylethyl acohol with benzoic acid.
주요 응용
Phenylethyl Benzoate is used in Carnation, Neroli, Rose and Oriental bases mostly as a fixative and a blender/modifier in the heavier portion of the fragrance. It is a good base for Peony and other delicate florals and blends well with most of the conventional “middle notes”. This material is also used in flavour compositions in minute traces for fixation of Honey, Strawberry and various fruit types. The concentration is normally as low as 1 to 4 ppm in the finished product.
신진 대사
The metabolism of benzoic acid has been extensively studied in more than 20 species, including man (Williams, 1959). Depending on species and other factors, such as availability of glycine, benzoic acid may be excreted in the urine as hippuric acid, benzoyl glucuronide or other compounds (see, for example, Bridges. French. Smith & Williams, 1970; Irjala, 1972; Kato, 1972; Martin, 1966; Runyan, 1971; Strahl & Barr, 1971; Wan & Riegelman, 1972). The major route of biotransformation of benzoic acid in man is conjugation with glycine to form hippuric acid, the rate-limiting factor in this reaction being the availability of glycine (Amsel & Levy. 1969). In man at a dose of 1 mg/kg, benzoic acid is excreted entirely as hippuric acid (Bridges et al. 1970). Phenylethyl alcohol is oxidized almost entirely to phenylacetic acid (Williams, 1959). In rabbits, a small amount of benzoic acid is also formed; the phenylacetic acid is excreted mainly as phenaceturic acid (Smith, Smithies & Williams, 1954).

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