Nerylacetat

Neryl acetate

HCID 1549025
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Grundinformationen

CAS
141-12-8
Standard-SMILES
CC(=O)OC/C=C(/C)CCC=C(C)C
InChIKey
HIGQPQRQIQDZMP-FLIBITNWSA-N
Summenformel
C12H20O2
Durchschnittliche Molmasse
196,29 g/mol
Monoisotopische Masse
196,14632988

Namen und Bezeichner

Bevorzugter Name
Neryl acetate
IUPAC
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
Lokaler Name
Nerylacetat
Englischer Name
NERYL ACETATE
Summenformel
C12H20O2
Molmasse
196.29

Namen und Synonyme

Neryl acetate141-12-8Nerol acetatecis-Geranyl acetate(Z)-3,7-Dimethylocta-2,6-dien-1-yl acetateNeryl ethanoate[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate(2Z)-3,7-dimethylocta-2,6-dien-1-yl acetateNSC-72031FEMA No. 27732,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-Neryl acetate (natural)
Weitere Namen anzeigen
FEMA 27732,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2Z)-FEMA 2733Acid nerylNeryl esterNerylacetat
UNII-OF82IJU18HOF82IJU18Hcis-3,7-Dimethyl-2,6-octadien-1-ol acetateEINECS 205-459-2BRN 17228142,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-AI3-358173,7-Dimethyl-2,6-octadienyl acetate, (Z)-

Datenbank-Bezeichner

CAS
141-12-8
PubChem CID
1549025
DTXSID
DTXSID2047068
ChEMBL
CHEMBL2268549
ChEBI
CHEBI:141210
UNII
OF82IJU18H
EC Number
205-459-2
Nikkaji
J102.179F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,5
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
6
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

Density0.905-0.914
Solubility1 ml in 1 ml 95% alcohol (in ethanol)
Boiling Point134 °C (25 mm Hg)
Refractive Index1.458-1.464
Physical Description · 2 Einträge

Liquid

colourless to pale yellow liquid/sweet, floral odour

Kovats Retention Index · 3 Einträge

1342；1342；1340；1342；1340；1342；1342；1344；1344；1340；1342；1342；1334；1345；1345；1345；1340；1340；1341；1341

1359.8；1358；1367；1364；1366；1367；1365；1381；1365；1386；1379；1362；1364；1362；1362；1355；1357；1365；1362；1365

1737；1725；1724；1726；1725；1703；1722；1735；1719；1721；1717；1725；1690；1705；1680；1706；1706；1700；1723；1723

Physikochemische Eigenschaften

Schmelzpunkt
25 °C · <25 °C
Siedepunkt
134 °C25 · 134 °C25 mm Hg(lit.)
Dichte
0.91 g/mL · 0.91 g/mL at 25 °C(lit.)
Dampfdruck
2.39 · 2.39-3.63Pa at 20℃
FEMA
2773 · 2773 | NERYL ACETATE
Brechungsindex
20 · n20/D 1.460(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 16.6% (298 of 1799) of reports.

Warning

H315 (77.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (77.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H412 (72.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1799 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 298 of 1799 reports by companies.；There are 11 notifications provided by 1501 of 1799 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-

Regulation (EC) No 1831/2003 (amended)

2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2Z)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 11-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/21334

2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Simple esters of geraniol and nerol: Human health tier II assessment
Hazard Classes and CategoriesSkin Irrit. 2 (77.8%)；Skin Sens. 1 (77.2%)；Aquatic Chronic 3 (72.7%)

Toxikologische Informationen

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

Regulatorische Informationen

Regulatory Information · 5 Einträge

Chemical: 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-

Regulation (EC) No 1831/2003 (amended)

2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2Z)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 11-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/21334

2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F
9-23
wgk
2
tsca
TSCA listed
hs_code
29153900
RTECS-Nr.
RG5921000
risk_code
36/37/38

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 100,000 - <250,000 lb；2022: 250,000 - <400,000 lb；2021: 250,000 - <400,000 lb；2020: 100,000 - <250,000 lb
Consumer UsesFragrance
Industry UsesFragrance；Other
Household ProductsInformation on 14 consumer products that contain Neryl Acetate in the following categories is provided:；• Auto Products；• Commercial / Institutional；• Inside the Home
Use Classification · 3 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 Einträge

Other (requires additional information)；All Other Chemical Product and Preparation Manufacturing；Soap, Cleaning Compound, and Toilet Preparation Manufacturing

2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2Z)-: ACTIVE

Anwendungen · 2 Einträge

BeschreibungNeryl 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.

OccurrenceReported 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

Darstellung

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

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter100 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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