ChemicalBook--->CAS DataBase List--->141-12-8

141-12-8

141-12-8 Structure

141-12-8 Structure
IdentificationMore
[Name]

NERYL ACETATE
[CAS]

141-12-8
[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)-
[EINECS(EC#)]

205-459-2
[Molecular Formula]

C12H20O2
[MDL Number]

MFCD00063205
[Molecular Weight]

196.29
[MOL File]

141-12-8.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
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 .
[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 .
[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).
Hazard InformationBack Directory
[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 DetailBack Directory
[Spectrum Detail]

NERYL ACETATE(141-12-8)MS
NERYL ACETATE(141-12-8)1HNMR
NERYL ACETATE(141-12-8)13CNMR
NERYL ACETATE(141-12-8)IR1
NERYL ACETATE(141-12-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Neryl acetate, mixture of ca 55-65% neryl and 35-45% geranyl acetate, 97%(141-12-8)
[Alfa Aesar]

Neryl acetate, 98%(141-12-8)
[Sigma Aldrich]

141-12-8(sigmaaldrich)
[TCI AMERICA]

Neryl Acetate,>95.0%(GC)(141-12-8)
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