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505-32-8

505-32-8 Structure

505-32-8 Structure
IdentificationMore
[Name]

Isophytol
[CAS]

505-32-8
[Synonyms]

3,7,11,15-TETRAMETHYL-1-HEXADECEN-3-OL
ISOPHYTOL
1-Hexadecen-3-ol, 3,7,11,15-tetramethyl-
1-Hexadecen-3-ol,3,7,11,15-tetramethyl-
1-Hexadecene-3-ol, 3,7,11,15-tetramethyl
2,6,10,14-tetramethylhexadec-15-en-14-ol
2,6,10-trimethyl-14-vinylpentadecan-14-ol
3,7,11,15-tetramethyl-1-hexadecen-3-o
Hexadec-1-en-3-ol, 3,7,11,15-tetramethyl-
Isovegetablealcohol
3,7,11,15-tetramethylhexadec-1-en-3-ol
ISOPHYTOL 95+%
ISOPHTOL
Isovegetable
3,7,11,15-Tetramethyl-1-hexadecene-3-ol
[EINECS(EC#)]

208-008-8
[Molecular Formula]

C20H40O
[MDL Number]

MFCD00048380
[Molecular Weight]

296.53
[MOL File]

505-32-8.mol
Chemical PropertiesBack Directory
[Appearance]

colourless viscous liquid
[Melting point ]

43.4°C (estimate)
[Boiling point ]

309 °C(lit.)
[density ]

0.841 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.457(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C, stored under nitrogen
[solubility ]

soluble in Chloroform
[form ]

clear liquid
[pka]

14.51±0.29(Predicted)
[color ]

Colorless to Light yellow
[Specific Gravity]

0.84
[Odor]

at 100.00 %. mild floral herbal green
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[biological source]

synthetic
[Odor Type]

floral
[Water Solubility ]

Practically insoluble
[Merck ]

14,5198
[BRN ]

1783243
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3
[InChIKey]

KEVYVLWNCKMXJX-UHFFFAOYSA-N
[SMILES]

CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C
[LogP]

8.8 at 25℃
[CAS DataBase Reference]

505-32-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Isophytol(505-32-8)
[EPA Substance Registry System]

505-32-8(EPA Substance)
Questions And AnswerBack Directory
[Properties]

Isophytol is a colorless viscous liquid with a delicate dry leaf, tealike and slightly carmellic sweet odor. It is insoluble in water but soluble in organic solvents such as alcohols and ketones. It has the dual nature of olefins and alcohols. The physical properties of isophytol are listed in Table 4.8.
physical properties of isophytol
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H315-H410
[Precautionary statements ]

P264-P273-P280-P302+P352-P332+P313-P362+P364
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 3082 9 / PGIII
[WGK Germany ]

1
[F ]

10
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29052200
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Acute 1
Aquatic Chronic 1
Skin Irrit. 2
[Hazardous Substances Data]

505-32-8(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Tetrahydrofuran-->Citral-->Methyl acetoacetate-->Linalool-->Propargyl alcohol-->2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, ethyl ester, (2Z,6E)--->6,10,14-Trimethyl-5-pentadecen-2-one-->Trimethyl-1,5,9-cyclododecatriene-->4,8-Tridecadienal, 4,8-dimethyl-12-oxo-, (4E,8E)-
[Preparation Products]

Tocopheryl acetate-->D-α-Tocopherol-->Vitamin E-->2,6,10-Trimethylundecane-->2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, 1-acetate-->3,7,11,15-Tetramethyl-2-hexadecen-1-ol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,7,11,15-Tetramethyl-1-hexadecen-3-ol(505-32-8).msds
Hazard InformationBack Directory
[Description]

Isophytol, also known as 3,7,11,15-tetramethyl-1-hexadecen-3-ol, is a derivative of acetylene and acetone. Isophytol is a terpenoid alcohol that is used as a fragrance and as an intermediate in the production of vitamin E and K1. Among them, the amount of isophytol used in production of vitamin E is the largest, followed by that used in the production of vitamin  K1, while only about 0.1% of isophytol is used for fragrance and flavoring. Vitamin E is widely used in medicine, food, animal feed, beauty cosmetics and other aspects.
[Chemical Properties]

colourless viscous liquid
[Uses]

preparation of vitamins E and K1.
[Preparation]

1) by decomposition of Chlorophyll extract from Alfalfa grass.
2) by hydrogenation of Geranyl linalool (see monograph).
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

Isophytol(505-32-8)MS
Isophytol(505-32-8)1HNMR
Isophytol(505-32-8)IR1
Isophytol(505-32-8)IR2
Isophytol(505-32-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Isophytol, 95%(505-32-8)
[Alfa Aesar]

Isophytol, 95%(505-32-8)
[Sigma Aldrich]

505-32-8(sigmaaldrich)
[TCI AMERICA]

Isophytol,>95.0%(GC)(505-32-8)
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