NERYL형식

Neryl formate

HCID 5354882CAS 105-86-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)=CCC/C(C)=C\COC=O
InChIKey
FQMZVFJYMPNUCT-XFFZJAGNSA-N
분자식
C11H18O2
평균 분자량
182.26 g/mol
단동위원소 질량
182.13067982

개요

neryl formate has been reported in Daphne odora, Elsholtzia ciliata, and other organisms with data available.

이름 및 식별자

우선 이름
Neryl formate
IUPAC
[(2Z)-3,7-dimethylocta-2,6-dienyl] formate
현지명
NERYL형식
영어명
NERYL FORMATE
분자식
C11H18O2
분자량
182.26

이름 및 동의어

Neryl formate2142-94-1[(2Z)-3,7-dimethylocta-2,6-dienyl] formateFEMA No. 2776I0Z8J413XDDTXSID701014544cis-3,7-Dimethyl-2,6-octadien-1-ol formate((2Z)-3,7-DIMETHYLOCTA-2,6-DIENYL) FORMATERefChem:165525DTXCID601437117218-401-6Formic acid, neryl ester
이름 더 보기
NERYL형식FEMA 2776NerylformiatNeryl fomateformicacid,nerylester3,7-Dimethyl-cis-2,6-octadienylmethanoate3,7-dimethyl-,formate,(z)-6-octadien-1-olcis-3,7-dimethyl-2,6-octadien-1-olformate[(2Z)-3,7-dimethylocta-2,7-dienyl] formate(Z)-2,6-Octadien-1-ol-3,7-dimethyl-formate
(Z)-3,7-Dimethyl-2,6-octadienyl formate(2Z)-3,7-dimethylocta-2,6-dien-1-yl formate2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, FORMATE, (Z)-2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (2Z)-(E)-geranyl formateNeryl methanoate(2E)-3,7-Dimethyl-2,6-octadienyl formateNeryl 2-methylpropanoate

데이터베이스 식별자

CAS
105-86-2、2142-94-1
PubChem CID
5354882
DTXSID
DTXSID701014544
UNII
I0Z8J413XD
EC Number
218-401-6
Nikkaji
J209.346D

물성

구조 계산 물성

XLogP
3.5
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
6
무거운 원자 수
13

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Neryl formate) -> IFRA transparency List
LogP3.250
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.916-0.917 (15 °C)

물리화학적 성질

끓는 점
255.67 °C · 255.67°C (rough estimate)
밀도
0.9769 · 0.9769 (rough estimate)
굴절률
1.4918 · 1.4918 (estimate)
FEMA
2776 · 2776 | NERYL FORMATE
용해도
Almost insoluble in water, soluble in alcohol and oils
색상
무색의 액체.

화학적 성질

Neryl formate has a sweet, herbaceous, green, penetrating odor suggestive of neroli and rose. It has a sweet, tart and fruity flavor.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 68.7% (79 of 115) of all reports.

Warning

H317 (31.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

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

Regulation (EC) No 1831/2003 (amended)

2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (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 Sens. 1B (31.3%)

안전 데이터

tsca
TSCA listed
독성
Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1975).

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information2,6-Octadien-1-ol, 3,7-dimethyl-, 1-formate, (2Z)-: ACTIVE
응용 분야 · 3건

개요Neryl formate has a sweet, herbaceous, green, penetrating odor suggestive of neroli and rose. It has a sweet, tart, and fruity flavor. Prepared by direct esterification of nerol; the pure ester tends to decompose readily.

출처Reported found in kumquat peel oil and rose apple

용도Neryl formate is used occasionally in perfume compositions for its delicately green-leafy floral effect, equally suitable for Rose and Violet. Clary Sage and Rose materials may create very attractive tearose notes. The ester is also used in flavour compositions, mainly in imitation Apricot, Peach, Apple, and Pineapple and in fruit and Citrus complexes at concentrations equal to 5 to 25 ppm in the finished product.

제조 방법

By direct esterification of nerol; the pure ester tends to decompose readily

공급사11 곳

湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]

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