4-아이소프로필벤질 알코올

Cuminol

HCID 325CAS 536-60-7

기본 정보

표준 SMILES
CC(C)c1ccc(CO)cc1
InChIKey
OIGWAXDAPKFNCQ-UHFFFAOYSA-N
분자식
C10H14O
평균 분자량
150.22 g/mol
단동위원소 질량
150.10446507

이름 및 식별자

우선 이름
Cuminol
IUPAC
(4-propan-2-ylphenyl)methanol
현지명
4-아이소프로필벤질 알코올
영어명
4-ISOPROPYLBENZYL ALCOHOL
분자식
C10H14O
분자량
150.22

이름 및 동의어

CuminolRefChem:5243354-isopropylbenzyl alcohol536-60-7Cumic alcohol(4-Isopropylphenyl)methanolcuminyl alcoholcuminic alcoholCumyl alcoholp-Cymen-7-olp-Isopropylbenzyl alcoholCUMIN ALCOHOL
이름 더 보기
4-아이소프로필벤질알코올4-아이소프로필벤질알코올(4-ISOPROPYLBENZYLALCOHOL)4-(1-methylethyl)-BenzenemethanolFEMA 2933
p-cumic alcoholBenzenemethanol, 4-(1-methylethyl)-4-(1-Methylethyl)benzenemethanolBenzyl alcohol, p-isopropyl-[4-(Propan-2-Yl)Phenyl]Methanol(4-propan-2-ylphenyl)methanolpara-cymen-7-olp-cymene-7-ol

데이터베이스 식별자

CAS
536-60-7
PubChem CID
325
DTXSID
DTXSID0021626
ChEMBL
CHEMBL3183500
ChEBI
CHEBI:27628
UNII
V261W8XR62
EC Number
208-640-4
Nikkaji
J6.353C

물성

구조 계산 물성

XLogP
2.3
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
11

물리화학적 성질

녹는점
28 °C · 28 °C
끓는 점
135 · 135-136 °C/26 mmHg (lit.)
밀도
0.982 g/mL · 0.982 g/mL at 25 °C (lit.)
FEMA
2933 · 2933 | P-ISOPROPYLBENZYL ALCOHOL
굴절률
20 · n20/D 1.519(lit.)
인화점
230 °F · >230 °F
화학적 성질 · 1건

4-Isopropylbenzyl alcohol is a clear colourless to slightly yellow liquid. Very poorly soluble in water, soluble in alcohol and oils. Sp.Gr. 0.98. B.P. 248℃. Oily-spicy odor, suggestive of Dillseed or Caraway, but not pungent or sharp like Carvone. Warm, almost burning, spicy-oily-woody taste.

안전 및 규제

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
GZ7260000
독성
The acute oral LD50 in rats was reported as 1.02 g/kg (0.9-1.14 g/kg) (Moreno, 1973). The acute dermal LD50 in rabbits was reported as 2.5 g/kg (0.5-3.0 g/kg) (Moreno, 1973).
HS 번호
29062990
risk_code
22-38-36/37/38-20/21/22

화학 및 산업

응용 분야 · 4건

개요p-Isopropylbenzyl alcohol has an intense, persistent, caraway-like odor and an aromatic, burning taste. Prepared from cuminaldehyde with H2 or NH3 under pressure in methanol solution and in the presence of Raney Ni catalyst; or by catalytic reduction of methyl p-isopropy lbenzoate.

출처Reported found in the oil from fruits of Cuminum cyminum and Carum carvi L.; also in the oils of Eucalyptus bakeris (esterified) and French lavender. Also reported found in mandarin peel oil, lingonberry, black currants, blackberry, tomato, cumin seed, peppermint oil, nutmeg, thymus, cognac, licorice, lovage seed, dill, laurel, turmeric, calabash nutmeg, angelica root oil and mastic gum leaf and fruit oil

용도4-Isopropylbenzyl alcohol is occasionally used in perfume compositions for its natural and warm-herbaceous-spicy effect, perceptible in the topnote and often through the dryout. Also used in the artistic duplication of certain floral notes, such as Mimosa and Cassie, particularly in connection with Methylionones. Finds some use in flavor compositions, mainly Berry, Fruit, Spice and Liquor flavors. The concentration in the finished product will normally be about 0.5 to 35 ppm.

일반 설명4-Isopropylbenzyl alcohol has mosquito repellent properties and has been isolated from Eucalyptus camaldulensis. Oxidation of 4-isopropylbenzyl alcohol over TiO2-supported nano gold catalyst has been investigated.

제조 방법

From cuminaldehyde with H2 or NH3 under pressure in methanol solution and in the presence of Raney Ni catalyst, or by catalytic reduction of methyl p-isopropylbenzoate

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]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

추가 설명

정의Found in caraway seed.

관련 반응

15건

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