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Merck
CN

W280003

1-辛醇

≥98%, FCC, FG

别名:

C8 醇, 正辛醇, 辛醇

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线性分子式:
CH3(CH2)7OH
化学文摘社编号:
111-87-5
分子量:
130.23
FEMA Number:
2800
Council of Europe no.:
54
UNSPSC Code:
12164502
PubChem Substance ID:
24901178
Flavis number:
2.006
EC Number:
203-917-6
NACRES:
NA.21
MDL number:
MFCD00002988
Beilstein/REAXYS Number:
1697461
Organoleptic:
fatty; green; citrus; waxy; floral; sweet
Grade:
FG
Fragrance grade
Halal
Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines
meets purity specifications of JECFA
Food allergen:
no known allergens

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产品名称

1-辛醇, ≥98%, FCC, FG

SMILES string

CCCCCCCCO

InChI

1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

InChI key

KBPLFHHGFOOTCA-UHFFFAOYSA-N

biological source

synthetic

grade

FG
Fragrance grade
Halal
Kosher

agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 172.515

vapor density

4.5 (vs air)

vapor pressure

0.14 mmHg ( 25 °C)

assay

≥98%

form

liquid

autoignition temp.

523 °F

refractive index

n20/D 1.429 (lit.)

bp

196 °C (lit.)

mp

−15 °C (lit.)

density

0.827 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

organoleptic

fatty; green; citrus; waxy; floral; sweet

Quality Level

300
400

Gene Information

mouse ... Chrna1(11435)

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相关类别

Application

  • 非接触式原位多诊断核磁共振/介电谱：研究强调了1-辛醇在改善光谱分析技术的应用，为复杂生物样品提供了非接触式原位测量（Morais AF, Radhakrishnan S, Arbiv G, et al., 2024）Anal Chem.

  • 用于测定海水中塑料添加剂的分散液-液微萃取方法的开发：通过开发用于评估海洋环境中塑料添加剂的微萃取方法，展示了1-辛醇在环境监测中的作用（González-Castro MJ, Uribe-Ares J, Muniategui-Lorenzo S, et al., 2024）Anal Methods。

  • 新型金属有机骨架深共晶溶剂/分子印迹聚合物多整体纤维在固相微萃取和GC-MS法测定未经授权的药物补充剂中安非他明和莫达非尼的应用：该研究在一种新型固相微萃取方法中使用了1-辛醇，重点介绍了其在法医学和药物分析中的用途（Kardani F, Khezeli T, Shariati S, et al., 2024）J Pharm Biomed Anal。

Biochem/physiol Actions

阻断 T 型 Ca2+ 通道

General description

1-辛醇是蘑菇的主要香味成分之一。

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319,H412

Hazard Classifications

Aquatic Chronic 3 - Eye Irrit. 2

存储类别

10 - Combustible liquids

wgk

WGK 1

flash_point_f

187.7 °F

flash_point_c

86.5 °C

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SHBS9225
SHBR5386
SHBR7361
SHBR7355
SHBR8470

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Flavor compounds in straw mushrooms Volvariella volvacea harvested at different stages of maturity.
Mau JL, et al.
Journal of Agricultural and Food Chemistry, 45(12), 4726-4729 (1997)
Aroma characteristics of Neungee (Sarcodon aspratus).
Jeong OJ, et al.
Korean Journal of Food Science and Technology, 33(3), 307-312 (2001)
Flavor compounds in king oyster mushrooms Pleurotus eryngii.
Mau JL, et al.
Journal of Agricultural and Food Chemistry, 46(11), 4587-4591 (1998)
John A Arnott et al.
Expert opinion on drug discovery, 7(10), 863-875 (2012-09-21)
The role of lipophilicity in drug discovery and design is a critical one. Lipophilicity is a key physicochemical property that plays a crucial role in determining ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties and the overall suitability of drug
B D Anderson et al.
The Journal of investigative dermatology, 93(2), 280-286 (1989-08-01)
The permeability coefficients (kp) of a series of methyl-substituted p-cresols were determined in human stratum corneum along with their partition coefficients (PC) between water and untreated stratum corneum, delipidized stratum corneum, octanol, and heptane. The PC values were identical in
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