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Linalyl anthranilate

HCID 23535
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
7149-26-0
표준 SMILES
C=CC(C)(CCC=C(C)C)OC(=O)c1ccccc1N
InChIKey
WHIJSULEEDNKPD-UHFFFAOYSA-N
분자식
C17H23NO2
평균 분자량
273.37 g/mol
단동위원소 질량
273.17287898

개요

Linalyl anthranilate is a yellow-orange liquid. Insoluble in water. (NTP, 1992)

이름 및 식별자

우선 이름
Linalyl anthranilate
IUPAC
3,7-dimethylocta-1,6-dien-3-yl 2-aminobenzoate
영어명
LINALYL ANTHRANILATE
분자식
C17H23NO2
분자량
273.37

이름 및 동의어

LINALYL ANTHRANILATE7149-26-0Anthranilic acid, linalyl esterLinalyl O-aminobenzoateLinalyl 2-aminobenzoateFEMA No. 26373,7-Dimethyl-1,6-octadien-3-yl 2-aminobenzoate1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoateNSC 720261,5-Dimethyl-1-vinyl-4-hexen-1-yl o-aminobenzoate1,5-Dimethyl-1-vinyl-4-hexenyl anthranilateCCRIS 4835
이름 더 보기
LINALYLANTRANILATE3,7-dimethylocta-1,6-dien-3-yl 2-aminobenzoateNSC72026FEMA 2637NSC-72026Linallyl anthranilatelinalylo-aminobenzoate
Anthranilic acid, 1,5-dimethyl-1-vinyl-4-hexenyl esterDTXSID20255033,7-Dimethyl-1,6-octadien-3-yl, anthranilate3,7-Dimethyl-1,6-octadien-3-yl o-aminobenzoate1,6-Octadien-3-ol, 3,7-dimethyl-, o-aminobenzoateEINECS 230-472-5FPW8XDE0404-Hexen-1-ol, 1,5-dimethyl-1-vinyl-, o-aminobenzoate

데이터베이스 식별자

CAS
7149-26-0
PubChem CID
23535
DTXSID
DTXSID2025503

물성

구조 계산 물성

XLogP
4.8
극성 표면적
52.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
7
무거운 원자 수
20
형식 전하
0
복잡도
371

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (Linalyl anthranilate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.052-1.058 (15.5 °C)
Flavoring AgentsEU Flavoring substances
Solubility · 3건

Insoluble (NTP, 1992)

Insoluble in water; Soluble in dimethyl sulphoxide

Soluble (in ethanol)

Boiling Point · 2건

370.00 to 371.00 °C. @ 760.00 mm Hg

370-371 °C

Refractive Index1.516-1.522
Physical Description · 3건

Linalyl anthranilate is a yellow-orange liquid. Insoluble in water. (NTP, 1992)

Liquid

Pale straw-coloured oily liquid; Gardenia-like aroma

물리화학적 성질

끓는 점
416.39 °C · 416.39°C (rough estimate)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 85.8% (235 of 274) of all reports.

Warning

H315 (14.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 274 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoate

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

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

Other Safety InformationIMAP assessments - 1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoate: Environment tier I assessment
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Air and Water ReactionsThis compound is sensitive to air and light. (NTP, 1992). Insoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (14.2%)

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information1,6-Octadien-3-ol, 3,7-dimethyl-, 3-(2-aminobenzoate): ACTIVE
응용 분야 · 3건

개요Linalyl anthranilate has a sweet orange-like flavor. The fragrance varies, depending on the source of linalool. May be synthesized from linalool and isatoic anhydride with catalytic amounts of sodium hydroxide; from linalyl formate plus methylanthranilate with sodium linalool.

출처Has apparently not been reported to occur in nature

일반 설명Yellow-orange liquid. Insoluble in water.

제조 방법

From linalool and isatoic anhydride with catalytic amounts of sodium hydroxide; from linalyl formate plus methylanthra nilate with sodium linalool.

공급사9 곳

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
武汉丰泰威远科技有限公司

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0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
ChEMBL
CHEMBL3185660
ChEBI
CHEBI:88541
UNII
FPW8XDE040
EC Number
230-472-5
Nikkaji
J55.380H
밀도
1.0101 · 1.0101 (rough estimate)
굴절률
1.52 · 1.5200 (estimate)
FEMA
2637 · 2637 | LINALYL ANTHRANILATE
저장 조건
2 · 2-8°C
산도 계수 (pKa)
2.12 · 2.12±0.10(Predicted)
색상
연한 밀짚색의 유성 액체
냄새
100 %에서 · 100.00%에서. 신선한 리나룰 오렌지 꽃 허브 치자 나무 우디
냄새 유형
꽃향기
JECFA Number
1540 · 1540
화장품 원료 기능
향수
LogP
5.98 · 5.98
EPA
Linalyl anthranilate (7149-26-0)

화학적 성질

Linalyl anthranilate has a gardenia-like aroma and a sweet, orange-like flavor. The fragrance varies, depending on the source of linalool from which it is made.

안전 및 보호

Fire Fighting · 1건

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)

First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

안전 데이터

tsca
TSCA listed
독성
LD50 orl-rat: 4250 mg/kg FCTXAV 14(5),443,76
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
기존화학 물질
KE-11612
+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]