BDMAEE

Structural formula

Business number	02SZ
Molecular formula	C10H18O
Molecular weight	154.25
label	(Z)-3,7-dimethyl-2,6-octadien-1-ol, β-citronol, (Z)-3,7-Dimethyl-2,6-octadien-1-ol, (Z)-geraniol, 2,6-Octadien-1-ol,3,7-dimethyl-,(Z)-, 2-cis-3,7-Dimethyl-2,6-octadien-1-ol, 3,7-Dimethyl-octa-2cis,6-dien-1-ol, 6-Octadien-1-ol,3,7-dimethyl-,(Z)-2, 7-Dimethyl-6-octadien-1-o(z)-3, beta-Nerol, Formulate fruity and floral flavors, alcohol solvent

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:106-25-2

MDL number:MFCD00063204

EINECS number:203-378-7

RTECS number:RG5840000

BRN number:1722455

PubChem ID:None

Physical property data

1. Properties: It is a colorless oily liquid with a rose-like aroma and a slight hint of lemon.

2. Density (g/mL, 25℃): 0.8812

3. Relative density (20℃, 4℃): 0.8756

4. Melting point (ºC): -15

5. Boiling point (ºC, normal pressure): 225, 125(3333pa)

6. Boiling point (ºC, 9mmHg): 227

7. Refractive index _(n²⁰_D): 1.4746

8. Flash point (ºC): 77

9. Relative density (25℃, 4℃): 0.8734

10. Refractive index at room temperature (n²⁰): 1.4795¹¹

11. Refractive index at room temperature (n²⁵): 1.4746²⁰

12. Saturated vapor pressure ( kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined

17. Explosion upper limit (%, V/ V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Soluble in organic solvents such as ethanol, chloroform, ether, etc., insoluble in water.

Toxicological data

1. Skin/eye irritation: Standard Dresser test: rabbit skin contact, 500mg/24HREACTION SEVERITY, moderate reaction; 2. Acute toxicity: rat oral LD50: 4500mg/kg; mouse muscle LC50: 3mg/kg ; Rabbit skin contact LD50: >5mg/kg

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 49.71

2. Molar volume (cm³/mol): 177.9

3. Isotonic specific volume (90.2K ): 413.5

4. Surface tension (dyne/cm): 29.1

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 19.70

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.9

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 4

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 20.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 150

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters Number: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with oxidizing agents.

2. Exist in mainstream smoke.

Storage method

1. The preparation method of nerolidol mainly adopts the natural essential oil separation method.

2. Neroli oil fractionation ↓ Linalool and terpene esterification, purification, saponification and separation ↓ CaCl2 ↓ Geraniol products

Synthesis method

1. The preparation method of nerolidol mainly adopts the natural essential oil separation method.

2. Neroli oil fractionation ↓ Linalool and terpene esterification, purification, saponification and separation ↓ CaCl2 ↓ Geraniol products

Purpose

1. Mainly used to prepare fruity and floral flavors.