4-[(1E,3S)-3,7-Dimethyl-3-vinyl-1,6-octadien-1-yl]phenol

Basic Information

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CAS Number

10309-37-2

Molecular Formula

C18H24O

Molecular Weight

256.39 g/mol

Chemical Classification

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Oil

Melting Point

No data available

Boiling Point

391 ºC

Flash Point

177 ºC

Refractive Index

1.4500 (estimate)

SMILES

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CC(C)=CCCC(C)(C=C)C=CC1=CC=C(O)C=C1

InChI

InChI=1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1

InChIKey

LFYJSSARVMHQJB-QIXNEVBVSA-N

LogP

5.344100000000005

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

328

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

-20℃

Sensitiveness

对空气敏感

Synonyms & References

English

4-(3,7-Dimethyl-3-vinylocta-1,6-dien-1-yl)phenol
(S)-(+)-Bakuchiol
(S)-Bakuchiol
4-(3,7-DIMETHYL-3-VINYL-OCTA-1,6-DIENYL)-PHENOL
Backuchiol
bakuchiol
BAKUCHIOL(P)
BACTRIS GASIPAES FRUIT JUICE
Drupanol
UP 256
BACTRIS GASIPAES
4-[(1E,3S)-3-Ethenyl-3,7-dimethyl-1,6-octadien-1-yl]phenol
[ "" ]
Aids046581
Aids-046581
BAKUCHIOL(RG)
BAKUCHIOL(SH)
(+)-Bakuchiol
OT12HJU3AR
C18H24O
4-(3-Ethenyl-3,7-dimethyl-1,6-octadienyl)phenol
Phenol, 4-[(1E,3S)-3-ethenyl-3,7-dimethyl-1,6-octadienyl]-
Phenol, 4-(3-ethenyl-3,7-dimethyl-1,6-octadienyl)-, (S-(E))-
Chiba
NSC671195
Bakuchiol, >=95%
4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenol
Bakuchiol, analytical s
Bakuchiol
(+)-Bakuchiol,(S)-(+)-Bakuchiol,(S)-Bakuchiol,Drupanol,Sytenol A

MDL Number

MFCD01707441

Customs Code

2907199090

FAQ

What is 4-[(1E,3S)-3,7-Dimethyl-3-vinyl-1,6-octadien-1-yl]phenol (CAS: 10309-37-2)?

4-[(1E,3S)-3,7-Dimethyl-3-vinyl-1,6-octadien-1-yl]phenol (CAS: 10309-37-2) is an organic compound characterized by a phenolic group attached to a substituted octadiene chain. It is a yellow solid with moderate solubility in organic solvents and is commonly used in chemical research for its structural versatility. The compound exhibits specific stereochemistry with (1E,3S) configuration, contributing to its unique chemical properties.

What are the main uses of 4-[(1E,3S)-3,7-Dimethyl-3-vinyl-1,6-octadien-1-yl]phenol (CAS: 10309-37-2)?

4-[(1E,3S)-3,7-Dimethyl-3-vinyl-1,6-octadien-1-yl]phenol (CAS: 10309-37-2) is primarily used in pharmaceutical research as a precursor for drug development. It also finds applications in polymer chemistry and as an intermediate in the synthesis of various organic compounds. The compound's versatility makes it valuable in industrial processes and chemical research for creating complex molecular structures.

Is 4-[(1E,3S)-3,7-Dimethyl-3-vinyl-1,6-octadien-1-yl]phenol (CAS: 10309-37-2) safe?

4-[(1E,3S)-3,7-Dimethyl-3-vinyl-1,6-octadien-1-yl]phenol (CAS: 10309-37-2) is generally considered safe when handled properly. However, it should be treated with caution as it may cause skin or eye irritation. Safety measures include using personal protective equipment (PPE) and ensuring proper ventilation. Compliance with standard chemical safety protocols is recommended for safe handling and use.

How should 4-[(1E,3S)-3,7-Dimethyl-3-vinyl-1,6-octadien-1-yl]phenol (CAS: 10309-37-2) be stored?

4-[(1E,3S)-3,7-Dimethyl-3-vinyl-1,6-octadien-1-yl]phenol (CAS: 10309-37-2) should be stored in a cool, dry, and well-ventilated area, away from light. It is best kept in a sealed container made of glass or high-density polyethylene (HDPE) to prevent contamination and maintain stability. Storage conditions should be controlled to avoid exposure to moisture and heat, ensuring the compound remains chemically stable over time.