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시나밀 안트라닐산

Cinnamyl Anthranilate

HCID 5284369
새 노트새 반응견적 요청하기인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
87-29-6
표준 SMILES
Nc1ccccc1C(=O)OC/C=C/c1ccccc1
InChIKey
GABQNAFEZZDSCM-RMKNXTFCSA-N
분자식
C16H15NO2
평균 분자량
253.29 g/mol
단동위원소 질량
253.11027872

개요

Cinnamyl Anthranilate can cause cancer according to an independent committee of scientific and health experts.

이름 및 식별자

우선 이름
Cinnamyl Anthranilate
IUPAC
[(E)-3-phenylprop-2-enyl] 2-aminobenzoate
현지명
시나밀 안트라닐산
영어명
Anthranilic acid cinnamyl ester
분자식
C16H15NO2
분자량
253.3

이름 및 동의어

CINNAMYL ANTHRANILATE87-29-6Cinnamyl 2-aminobenzoateCinnamyl anthranylateCinnamyl o-aminobenzoateAnthranilic acid, cinnamyl esterNCI-C03510Cinnamyl alcohol, anthranilate3-Phenyl-2-propenyl anthranilateCinnamylester kyseliny anthraniloveLTW6QIC74B3-Phenyl-2-propen-1-yl anthranilate
이름 더 보기
시나밀안트라닐산시나밀안트라닐산안트라닐산신나밀에스테르NCI-C-03510LABOTEST-BB LT00454690cinnamyl2-aminobenzoatecinnamylo-aminobenzoateAnthranilic acid cinnamylcinnamylalcohol,anthranilateAnthranilic acid cinnamyl estercinnamylesterkyselinyanthranilove
3-Phenyl-2-propenylanthranilateBenzoic acid, 2-amino-, 3-phenyl-2-propenyl ester2-Propen-1-ol, 3-phenyl-, 2-aminobenzoate2-Aminobenzoic acid 3-phenyl-2-propenyl esterDTXCID903303-Phenyl-2-propenyl 2-aminobenzoateNSC-46286DTXSID3020330

데이터베이스 식별자

CAS
87-29-6
PubChem CID
5284369
ChEMBL
CHEMBL561481
ChEBI
CHEBI:82429
UNII
LTW6QIC74B
EC Number
201-738-8
Nikkaji
J33.922I

물성

구조 계산 물성

XLogP
4
극성 표면적
52.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
5
무거운 원자 수
19
형식 전하
0
복잡도
308

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Esters, Other
OdorBALSAMIC, FRUITY ODOR SOMEWHAT REMINISCENT OF GRAPE
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density · 2건

1.18 at 59.9 °F (NTP, 1992) - Denser than water; will sink

1.180 @ 15.5 °C

Color/FormBROWNISH POWDER
Solubility · 2건

less than 1 mg/mL at 63 °F (NTP, 1992)

INSOL IN WATER; SOL IN ETHANOL (50 G/L IN 95% ETHANOL), IN DIETHYL ETHER & CHLOROFORM

Boiling Point · 2건

630 °F at 760 mmHg (NTP, 1992)

332 °C

Melting Point · 2건

142 to 143 °F (NTP, 1992)

GREATER THAN 60 °C

Physical Description · 2건

Cinnamyl anthranilate appears as brownish or reddish-yellow powder or light yellow solid with a fruity taste. (NTP, 1992)

Brownish solid with a fruity odor; [HSDB] Cream solid with a fruity, grape-like odor; [MSDSonline]

안전 및 규제

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

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.

Not Classified

Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Propen-1-ol, 3-phenyl-, 2-aminobenzoate

Hazard Traits - Carcinogenicity

2-Propen-1-ol, 3-phenyl-, 2-aminobenzoate: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992)
FDA RequirementsFDA 121.1164
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Special ReportsDHEW/NCI; Bioassay of Cinnamyl Anthranilate for Possible Carcinogenicity (1980) Technical Rpt Series No. 196 DHEW Pub No. (NIH) 80-1752
Reactivity ProfileCINNAMYL ANTHRANILATE is sensitive to oxidation and hydrolysis. It is subject to photooxidation. This chemical reacts with various aldehydes, forming highly colored compounds. (NTP, 1992)
Air and Water ReactionsThis chemical is sensitive to oxidation and hydrolysis. Insoluble in water.

화학 및 산업

용도 및 제조

Uses · 3건

Used as a flavoring agent for foods, beverages, and chewing gum; Also used as a fragrance for soaps, lotions, and perfumes; [HSDB]

USED AS FLAVOR & FRAGRANCE CHEMICAL

FLAVORING AGENT FOR FOODS, BEVERAGES, & CHEWING GUM; FRAGRANCE FOR SOAPS, LOTIONS, & PERFUMES

U.S. Exports · 2건

(1977) No Data

(1979) No Data

U.S. Imports · 2건

(1977) No Data

(1979) No Data

U.S. Production · 2건

(1977) PROBABLY GREATER THAN 1.36X10+6 GRAMS

(1979) PROBABLY GREATER THAN 9.08X10+5 GRAMS

Methods of ManufacturingREACTION OF ISATOIC ANHYDRIDE WITH CINNAMYL ALCOHOL;ESTERIFICATION OF ANTHRANILIC ACID WITH CINNAMYL ALCOHOL
Formulations/PreparationsCINNAMYL ANTHRANILATE IS AVAIL IN US WITH MIN PURITY OF 96%.
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information · 5건

2-Propen-1-ol, 3-phenyl-, 1-(2-aminobenzoate): ACTIVE

US FOOD & DRUG ADMIN HAS CLASSIFIED CINNAMYL ANTHRANILATE AS GRAS (GENERALLY RECOGNIZED AS SAFE) SUBSTANCE WHICH MAY BE SAFELY USED AS FLAVORING SUBSTANCE IN FOOD IF USED IN MIN QUANTITY REQUIRED TO PRODUCE ITS INTENDED EFFECT.

AS PERFUME INGREDIENT, CINNAMYL ANTHRANILATE IS USED IN ORANGE BLOSSOM, NEROLI, COLOGNE & OTHER FLORAL BLENDS @ AVG CONCN OF 0.08%.

IT IS USED AS INGREDIENT IN NON-ALCOHOLIC BEVERAGES (6.8 MG/KG), ICE-CREAM & ICES (1.7 MG/KG), SWEETS (4.3 MG/KG), GELATINS & PUDDINGS (28 MG/KG) & IN CHEWING GUM (46-730 MG/KG). ...USED AS FRAGRANCE INGREDIENT IN VARIOUS COSMETIC PRODUCTS, INCL SOAPS (@ AVG CONCN OF 0.01%), DETERGENTS (0.001%) & CREAMS & LOTIONS (0.005%).

FEMA NO. 2295

공급사

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공개 문의

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관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
Stability/Shelf Life · 2건

CHANGE ON EXPOSURE TO LIGHT, DUE TO PHOTOOXIDATION /AROMATIC AMINES & RELATED NITRO COMPD/

REACTS WITH VARIOUS ALDEHYDES, FORMING HIGHLY COLORED COMPD

물리화학적 성질

녹는점
64 · 64-66°C
끓는 점
322 °C · 322°C
밀도
1 · 1,18 g/cm3
굴절률
1.6 · 1.6000 (estimate)
인화점
322 °C · 322°C
산도 계수 (pKa)
2.15 · 2.15±0.10(Predicted)
색상
불그스름한 노란색 분말
냄새
발사믹 냄새
냄새 유형
발사믹
수용성
0.23 mg/L · 0.23mg/L(온도 미표시)
Merck
14 · 14,2303
BRN
2733435 · 2733435
LogP
4.4 · 4.40
EPA
Cinnamyl anthranilate (87-29-6)

화학적 성질

Water insoluble, reddish-yellow powder, soluble in ethanol, ethyl ether and chloroform.

Hazard Classes and Categories
Not Classified

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide 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: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a 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 a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

독성 정보

Ongoing Test Status · 1건

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=87-29-6]

Natural Pollution SourcesCINNAMYL ANTHRANILATE IS NOT KNOWN TO OCCUR IN NATURE.
Carcinogen Classification · 6건

Cinnamyl anthranilate

Group 3: Not classifiable as to its carcinogenicity to humans

Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print)

2000

2000

Cinnamyl anthranilate

Non-Human Toxicity Excerpts · 4건

15 MALE & 15 FEMALE A/HE MICE...GIVEN IP...0.1 ML...IN TRICAPRYLIN THRICE WEEKLY FOR 8 WK (TOTAL...12 G/KG BODY WT). @ 24 WK...11 MALES & 10 FEMALES HAD LUNG TUMORS (2.7 & 2.1...TUMORS/MOUSE). OF 25 FEMALE CONTROLS INJECTED WITH TRICAPRYLIN ALONE...10 HAD LUNG TUMORS (0.59 LUNG TUMORS/MOUSE) (P GREATER THAN 0.05).

ALL OF 5 MICE SURVIVED 6 IP INJECTIONS OF 0.5 G/KG BODY WT GIVEN OVER 2-WK PERIOD.

FORTY-ONE FOOD ADDITIVES & TWENTY CHEMOTHERAPEUTIC AGENTS EXAMINED FOR THEIR ABILITY TO INDUCE PRIMARY LUNG TUMORS IN A MICE. ANIMALS ADMIN IP INJECTIONS OF EACH FOR 8 WK & KILLED @ 24 WK AFTER 1ST INJECTION. CINNAMYL ANTHRANILATE WAS ONLY POSITIVE OF 41 FOOD ADDITIVES TESTED.

... Under the conditions of this bioassay, cinnamyl anthranilate was carcinogenic for male and female B6C3F1 mice, inducing increased incidences of hepatocellular carcinomas or adenomas. The test chemical was also carcinogenic for male F344 rats, inducing low incidences of acinar cell carcinomas or adenomas of the pancreas and adenocarcinomas or adenomas of the adrenal cortex. Cinnamyl anthranilate was not carcinogenic for female F344 rats. Level of Evidence of Carcinogenicity: Male Rats: Positive; Female Rats: Negative; Male Mice: Positive; Female Mice: Positive.

Evidence for CarcinogenicityNo data are available in humans. Limited evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 3: The agent is not classifiable as to its carcinogenicity to humans.
National Toxicology Program Studies · 1건

A bioassay of cinnamyl anthranilate ... for possible carcinogenicity was conducted by administering the test chemical in feed to F344 rats and B6C3F1 mice. Groups of 50 rats and 50 mice of each sex were fed the test chemical in diets containing 15,000 or 30,000 ppm for 103 wk and then observed for an additional 2-3 wk. Controls consisted of 50 untreated rats and 50 untreated mice of each sex. All surviving animals were /sacrificed/ and necropsied at 105-107 wk. ... Under the conditions of this bioassay, cinnamyl anthranilate was carcinogenic for male and female B6C3F1 mice, inducing increased incidences of hepatocellular carcinomas or adenomas. The test chemical was also carcinogenic for male F344 rats, inducing low incidences of acinar cell carcinomas or adenomas of the pancreas and adenocarcinomas or adenomas of the adrenal cortex. Cinnamyl anthranilate was not carcinogenic for female F344 rats. Level of Evidence of Carcinogenicity: Male Rats: Positive; Female Rats: Negative; Male Mice: Positive; Female Mice: Positive.

RAIS Toxicity Values · 4건

1.3e-06

CALEPA

0.0046

CALEPA

규제 정보

FDA RequirementsFDA 121.1164

안전 데이터

tsca
TSCA listed
rtecs
CB2725000
독성
LD50 orl-rat: 5000 mg/kg FCTXAV 13,681,75
safety_code
22-24/25
유해 물질 데이터
87-29-6(Hazardous Substances Data)

응용 분야

용도Flavoring agent in food; fragrance in soaps and perfumes.

일반 설명Brownish or reddish-yellow powder or light yellow solid with a fruity taste.

제조 방법

By esterification of anthranilic acid with cinnamyl alcohol.

상·하류 제품 정보

상류 원료

안트라닐산CINNAMIC ALCOHOL