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기본 정보
- CAS
128-51-8- 표준 SMILES
CC(=O)OCCC1=CC[C@H]2C[C@@H]1C2(C)C- InChIKey
AWNOGHRWORTNEI-RYUDHWBXSA-N- 분자식
- C13H20O2
- 평균 분자량
- 208.3 g/mol
- 단동위원소 질량
- 208.14632988
이름 및 식별자
- 우선 이름
- Nopyl acetate
- IUPAC
- 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl acetate
- 현지명
- 노필아세테이트
- 영어명
- LIGNYL ACETATE
- 분자식
- C13H20O2
- 분자량
- 208.3
이름 및 동의어
(-)-Nopyl acetateNopyl acetate, (-)-35836-72-7CitroviolNopol acetateF361JE87STOTX3UCY28V2-Norpinene-2-ethanol, 6,6-dimethyl-, acetateEC 800-940-9Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate, (1R,5S)-DTXSID40189368(1R,5S)-2-(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl) ethyl acetate
이름 더 보기
노필아세테이트NOPYL ACETATEnopylNopylacetatNopyl AcetanopolacetateDIHEPTYLACETATLIGNYL ACETATELIGNYL ACETATE USP/EP/BP
NSC 1286NSC-1286EINECS 204-891-9NSC-404963AI3-143806,6-Dimethyl-2-norpinene-2-ethanol, acetate2-Pinene-10-methyl acetate7,7-DIMETHYLBICYCLO(3.1.1)HEPT-2-ENE-2-ETHANOL ACETATE
데이터베이스 식별자
- CAS
128-51-8、35836-72-7- PubChem CID
- 929336
- DTXSID
DTXSID40189368- UNII
- F361JE87ST、OTX3UCY28V
- EC Number
- 204-891-9、800-940-9
- Nikkaji
- J1.180.867K
물성
구조 계산 물성보충 중
- XLogP
- 2.6
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 302
실험 및 물리화학적 성질
CosmeticsMasking
Fragrances
Fragrance Ingredient ((1R)-Nopyl acetate) -> IFRA transparency List
Fragrance Ingredient (Nopyl acetate) -> IFRA transparency List
Physical DescriptionCBI; Liquid
물리화학적 성질
- 끓는 점
- 253 °C · 253 °C(lit.)
- 밀도
- 0.98 g/mL · 0.98 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.472(lit.)
- 인화점
- 230 °F · >230 °F
- 색상
- 적당한 끈기의 달콤한 나무 냄새를 지닌 무색 액체
- 냄새
- 100 %에서 · 100.00%에서. 허브 리나릴 아세테이트 우디 파인 라벤더
- 냄새 유형
- 약초
- 화장품 원료 기능
- 향기
- InChI
- InChI=1/C13H20O2/c1-9(14)15-7-6-10-4-5-11-8-12(10)13(11,2)3/h4,11-12H,5-8H2,1-3H3/t11-,12-/s3
- InChIKey
- AWNOGHRWORTNEI-KBLMMMSONA-N
- SMILES
- [C@@]12([H])C[C@@]([H])(CC=C1CCOC(=O)C)C2(C)C |&1:0,3,r|
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317 (81.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1716 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
유해성 정보
Regulatory Information
Chemical: Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate
Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate 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: 13-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5563
Bicyclo3.1.1hept-2-ene-2-ethanol, 6,6-dimethyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Sens. 1B (81.4%)
Skin Sens. 1B (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 독성
- The acute oral LD50 value in rats was reported as 3 ml/kg (2.4-3.6 ml/ kg) (Moreno, 1972a). The acute dermal LD50 value in rabbits was reported as > 2 g/kg (Moreno, 1972b).
- 기존화학 물질
- KE-11231
화학 및 산업
용도 및 제조
U.S. Production2023: <75,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 14 consumer products that contain Nopyl Acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Cosmetics -> Masking
General Manufacturing Information
Other (requires additional information)
Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate: ACTIVE
응용 분야
개요Lignyl acetate was introduced in the years of shortage and high prices of Linalyl acetate, and it had a considerable mission to fill at that time. Although it is no longer considered as a “substitute for Linalylacetate” it has found its place in perfumery as a versatile and low-cost sweet and fruity ester for use in Citrus, Fougere, Bergamot, Neroli, Cologne and soap perfumes, fragrances for various household products, etc. For many purposes, it gives better results than Terpinyl acetate and it is only slightly more expensive. A few higher esters have been produced and made commercially available, but they have only minor importance in perfumery.
출처Has apparently not been reported to occur in nature.
제조 방법
By acetylation of nopol (Bedoukian, 1967).
상·하류 제품 정보
상류 원료
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