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Merck
CN

W342017

大马酮

greener alternative

natural, 1.1-1.4 wt. % (190 proof ethanol), FG

别名:

β-大马酮, 1-(2,6,6-三甲基-1-环己烯-1-基)-2-丁烯-1-酮

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关于此项目

经验公式（希尔记法）:
C13H18O
化学文摘社编号:
23696-85-7
分子量:
190.28
FEMA Number:
3420
UNSPSC Code:
12164502
PubChem Substance ID:
24901692
Flavis number:
7.108
NACRES:
NA.21
MDL number:
MFCD00101024
Organoleptic:
apple; smoky; herbaceous; nutty; citrus; woody; rose; wine-like
Grade:
FG, Fragrance grade, Kosher, natural
Agency:
follows IFRA guidelines
Food allergen:
no known allergens

主要文件

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SMILES string

C\C=C\C(=O)C1=C(C)C=CCC1(C)C

InChI key

POIARNZEYGURDG-FNORWQNLSA-N

InChI

1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+

grade

FG, Fragrance grade, Kosher, natural

agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 872/2012, FDA 21 CFR 110

Quality Level

300, 400

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

concentration

1.1-1.4 wt. % (190 proof ethanol)

color

yellow

refractive index

n20/D 1.350-1.380 (lit.)

density

0.800-0.830 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

greener alternative category

DfS-Developed

organoleptic

apple; smoky; herbaceous; nutty; citrus; woody; rose; wine-like

storage temp.

2-8°C

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General description

We are committed to bringing you greener alternative products, which adhere to one or more of the 12 Principles of Green Chemistry. This product is Biobased and thus aligns with "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks".
大马酮是一种主要存在于红葡萄酒中的一种降异戊二烯酮。它天然存在于番茄和葡萄中。

Application

大马酮是一种香味成分，可用于洗发水、香水香精、装饰性化妆品、香皂以及非化妆产品，如家用清洁剂和洗涤剂。

Biochem/physiol Actions

1-5ppm 时的味道

Other Notes

自然存在：苹果汁、杏子、黑加仑、葡萄、悬钩子、草莓、科尼亚克白兰地、朗姆酒、威士忌和苏格兰威士忌。

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - Skin Sens. 1

存储类别

3 - Flammable liquids

flash_point_f

60.8 °F - closed cup

flash_point_c

16 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

法规信息

危险化学品
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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SHBT4175
SHBT3036
SHBT0687
SHBS8509
SHBS7207

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J Lalko et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 45 Suppl 1, S192-S198 (2007-11-27)
A toxicologic and dermatologic review of cis-beta-damascone when used as a fragrance ingredient is presented.
Frank Benkwitz et al.
Journal of agricultural and food chemistry, 60(25), 6293-6302 (2012-06-06)
In this study three different approaches were employed to identify key odorants in Sauvignon blanc wines. First, the concentrations of the odorants were compared to their respective aroma detection thresholds. The resulting odor activity values (OAV) were transformed into a
Detection and Partial Characterization of Eight. beta.-Damascenone Precursors in Apples (Malus domestica Borkh. Cv. Empire).
Roberts DD, et al.
Journal of Agricultural and Food Chemistry, 42(2), 345-349 (1994)
Helge T Fritsch et al.
Journal of agricultural and food chemistry, 53(19), 7544-7551 (2005-09-15)
Application of aroma extract dilution analysis on the volatiles isolated from a Bavarian Pilsner-type beer revealed 40 odor-active constituents in the flavor dilution (FD) factor range of 16-2048, among which ethyl octanoate, (E)-beta-damascenone, 2- and 3-methylbutanoic acid, and 4-hydroxy-2,5-dimethyl-3(2H)-furanone showed
Fabienne Chevance et al.
Journal of agricultural and food chemistry, 50(13), 3818-3821 (2002-06-13)
This study investigated the increase of beta-damascenone content during aging in a variety of commercial Belgian beers. Quantities detected in fresh beers were generally low (from 6 ng/g to 25 ng/g). After 5 days at 40 degrees C, the level
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