推荐： 3-辛醇 natural, ≥97%, FCC, FG@2024已更新

物化性质：

外观与性状：无色，透明液体
密度：0.825g/mL
熔点：-45oC
沸点：174-176oC
闪点：67oC
折射率：n20/D 1.426(lit.)

计算化学数据：

1.疏水参数计算参考值（XlogP）:无
2.氢键供体数量:1
3.氢键受体数量:1
4.可旋转化学键数量:5
5.互变异构体数量:无
6.拓扑分子极性表面积20.2
7.重原子数量:9
8.表面电荷:0
9.复杂度:52.5
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:1
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1

别名:乙基戊基甲醇

线性分子式:CH3(CH2)4CH(OH)CH2CH3

CAS号:589-98-0

分子量:130.23

FEMA编号:3581

Beilstein:1719310

EC 号:209-667-4

MDL编号:MFCD00004590

PubChem化学物质编号:24901793

Flavis编号:2.098

属性
等级
FG
Fragrance grade
Halal
Kosher
natural

质量水平
400

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

蒸汽密度
~4.5 (vs air)

蒸汽压
~1 mmHg ( 20 °C)

检测方案
≥97%

环保替代产品特性
Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

折射率
n20/D 1.426 (lit.)

bp
174-176 °C (lit.)

密度
0.818 g/mL at 25 °C (lit.)

application(s)
flavors and fragrances

文件
see Safety & Documentation for available documents

食品过敏原
no known allergens

致敏芳香化合物
no known allergens

环保替代产品分类
, Aligned

性状检查
cheese; creamy; mushroom; musty; earthy

SMILES string
CCCCCC(O)CC

InChI
1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3

InChI key
NMRPBPVERJPACX-UHFFFAOYSA-N

说明
一般描述
3-Octanol is one of the major volatile flavor components of mushroom.[1][2]
Natural occurrence: Spearmint oil, oat groats, Ocimum basilicum, pimento leaf and truffle.
We are committed to bringing you Greener Alternative Products, which adhere to one of the four categories of Greener Alternatives . This product is a Biobased products, showing key improvements in Green Chemistry Principles “Less Hazardous Chemical Syntheses” and “Use of Renewable Feedstock”.
生化/生理作用
10ppm 时的味道