1-HEPTEN-3-OL

CAS No.：4938-52-7

Important Notice

This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
The purchaser must not use this product, or supply it to another party, for personal consumption, sports or fitness, weight loss, health supplements, food, or animal feed.

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1-HEPTEN-3-OL Basic information

Product Name:	1-HEPTEN-3-OL
Synonyms:	heptene-1-ol-3;FEMA 4129;HEPT-1-ENE-3-OL;TIMTEC-BB SBB008778;1-HEPTEN-3-OL;n-Butyl vinyl carbinol;hept-1-en-3-ol;1-HEPTEN-3-OL 97+%
CAS:	4938-52-7
MF:	C7H14O
MW:	114.19
EINECS:	225-579-9
Product Categories:
Mol File:	4938-52-7.mol

1-HEPTEN-3-OL Chemical Properties

Melting point	26°C (estimate)
Boiling point	153-156 °C (lit.)
density	0.836 g/mL at 20 °C 0.836 g/mL at 25 °C (lit.)
refractive index	n20/D 1.433(lit.)
FEMA	4129 \| (+/-)-1-HEPTEN-3-OL
Fp	129 °F
pka	14.49±0.20(Predicted)
Specific Gravity	0.836
JECFA Number	1842
BRN	1720340
Stability:	Stable. Flammable. Incompatible with strong oxidizing agents.
CAS DataBase Reference	4938-52-7(CAS DataBase Reference)
EPA Substance Registry System	1-Hepten-3-ol (4938-52-7)

Safety Information

Hazard Codes	Xi
Risk Statements	10-36/37/38
Safety Statements	16-26-36/37/39
RIDADR	UN 1987 3/PG 3
WGK Germany	3
F	10-23
TSCA	Yes
HazardClass	3
PackingGroup	III

MSDS Information

Provider	Language
SigmaAldrich	English
ALFA	English

1-HEPTEN-3-OL Usage And Synthesis

Chemical Properties	liquid
Chemical Properties	Colorless liquid; green strong aroma at high concentration, but fatty, buttery aroma at low dilution.
Occurrence	Reported found in banana, beer, patchouli oil, China (0.01%), green pepper and red pepper
Uses	1-Hepten-3-ol may be used as an analytical standard for the determination of the analyte in meat products, packaged vegetables, food products, wine, and fruit samples by gas chromatography (GC) based techniques.
Aroma threshold values	High strength odor, green type; recommend smelling in a 1.00% solution or less.
Taste threshold values	Sweet, green, plastic, metallic, weedy taste at 1 ppm in water.
General Description	1-Hepten-3-ol, an allylic alcohol, belongs to the class of volatile organic compounds (VOCs). It is commonly detected as a constituent of Hyacinthus orientalis L. flowers.

1-HEPTEN-3-OL Preparation Products And Raw materials

Raw materials	(Z)-1-(Trimethylsilyl)-1-hexene-->1-bromo-3-chloropropene-->2-BUTYL-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE-->3-BROMO-3,3-DIFLUOROPROPENE-->2-HEXANOL-->1-HEPTYN-3-OL-->Methanol-->N-BUTYLMAGNESIUM BROMIDE-->Acrolein
Preparation Products	3-Heptanone-->3-HEPTANOL-->(Z)-2-Hepten-1-ol-->1-HEPTEN-3-ONE

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