ChemicalBook CAS DataBase List 141-12-8

141-12-8

Name	NERYL ACETATE
CAS	141-12-8
EINECS(EC#)	205-459-2
Molecular Formula	C12H20O2
MDL Number	MFCD00063205
Molecular Weight	196.29
MOL File	141-12-8.mol

Synonyms

2,6-OCTADIEN-1-OL, 3,7-DIMETHYL:ACETATE CIS-3,7-DIMETHYL-2,6-OCTADIEN-1-OL ACETATE CIS-3,7-DIMETHYL-2,6-OCTADIEN-1-YL ACETATE CIS-3,7-DIMETHYL-2,6-OCTADIENYL ACETATE FEMA 2733 FEMA 2773 NEROL ACETATE NERYL ACETATE NERYL ACETATE A NERYL ACETATE C (2Z)-3,7-Dimethyl-2,6-octadienyl acetate (Z)-3,7-Dimethyl-2,6-octadienylethanoate 3,7-dimethyl-,acetate,(z)-6-octadien-1-ol 6-Octadien-1-ol,3,7-dimethyl-,acetate,(Z)-2 cis-1-acetoxy-3,7-dimethyl-octa-2,6-diene nerylacetate,mixtureofca55-65%neryland35-45%geranylacetate NERYL ACETATE, TERPENE STANDARD 3,7-Dimethyl-cis-2,6-octadien-1-ol, acetate nerylacetate,3,7-dimethyl-2,6-octadien-1-olacetate 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-

Chemical Properties

Appearance	CLEAR COLOURLESS TO SLIGHTLY YELLOWISH LIQUID
Melting point	<25 °C
Boiling point	134 °C25 mm Hg(lit.)
density	0.91 g/mL at 25 °C(lit.)
vapor pressure	2.39-3.63Pa at 20℃
FEMA	2773
refractive index	n20/D 1.460(lit.)
Fp	210 °F
storage temp.	2-8°C
form	neat
color	Colorless to Light yellow to Light orange
Odor	at 100.00 %. floral rose soapy citrus dewy pear
biological source	synthetic
Odor Type	floral
Water Solubility	34.51-773.28mg/L at 20℃
JECFA Number	59
BRN	1722814
Major Application	cleaning products cosmetics flavors and fragrances food and beverages personal care
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
InChIKey	HIGQPQRQIQDZMP-FLIBITNWSA-N
SMILES	CC(=O)OC\C=C(\C)CC\C=C(/C)C
LogP	2.76-3.98 at 30-37℃
CAS DataBase Reference	141-12-8(CAS DataBase Reference)
EPA Substance Registry System	Neryl acetate (141-12-8)

Safety Data

Symbol(GHS)	GHS07,GHS08,GHS09
Signal word	Danger
Hazard statements	H315-H317-H319-H411-H372
Precautionary statements	P261-P280-P273-P305+P351+P338
Hazard Codes	Xi
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . S24/25:Avoid contact with skin and eyes . S37/39:Wear suitable gloves and eye/face protection . S36:Wear suitable protective clothing . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . less more
WGK Germany	2
RTECS	RG5921000
F	9-23
TSCA	Yes
REACH Registrations	Active
HS Code	29153900
Storage Class	10 - Combustible liquids
Toxicity	Both the acute oral LD₅₀ value in rats and the acute dermal LD₅₀ value in rabbits exceeded 5 g/kg (Levenstein, 1972). less more

Hazard Information

Description

Neryl acetate has a very sweet, floral, orange-blossom and roselike odor. It is initially fresh and pungent, and then a honey-like flavor with a raspberry undertone. Neryl acetate may be prepared by esterification of nerol with acetic acid; also prepared from myrcene by hydrobromination and esterification.

Chemical Properties

CLEAR COLOURLESS TO SLIGHTLY YELLOWISH LIQUID

Chemical Properties

is the (Z)- isomer of geranyl acetate. It is present in helichrysum oil and has also been identified in, among others, neroli oil and petitgrain oil Bigarade. It is a colorless, floral, sweet-smelling liquid and is used in perfumery for blossom compositions (e.g., orange blossom and jasmine).

Chemical Properties

Neryl acetate has a very sweet, floral, orange-blossom and rose-like odor. It has a flavor that is initially fresh and pungent, and then honey-like with a raspberry undertone

Occurrence

Reported found in the essential oils of lemon, neroli, and petitgrain bigarade, in sweet and bitter orange, lemon, grapefruit, lime, black currants, grapes, celery, ginger, Mentha oils, nutmeg, thyme, hop oil, white wine, cocoa, tea, passion fruit, sweet marjoram, cardamom, lovage leaf, myrtle leaf and berry, buchu oil, lemon balm, clary sage, eucalyptus oil and mastic gum leaf oil

Uses

GB 2760--1996 specifies NERYL ACETATE as a permitted edible flavoring. It is mainly used to formulate fruit flavorings such as pear, apple, lemon, peach, raspberry, and citrus.

Definition

ChEBI: Neryl acetate is an acetate ester resulting from the formal condensation of the hydroxy group of nerol with the carboxy group of acetic acid. It has a role as a volatile oil component, a fragrance and a plant metabolite. It is an acetate ester, a monoterpenoid and an olefinic compound. It is functionally related to a nerol.

Preparation

By esterification of nerol with acetic acid; also prepared from myrcene by hydrobromination and esterification.

Aroma threshold values

Detection: 2 to 8.5 ppm

Taste threshold values

Taste characteristics at 10 ppm: floral, rosy, soapy, fruity, pear, and tropical.

General Description

cis-3,7-Dimethyl-2,6-octadien-1-yl acetate (Neryl acetate) is the major component of lavender volatile oils.

Biochem/physiol Actions

Taste at 5 ppm

Spectrum Detail

Well-known Reagent Company Product Information

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