기본 정보
- CAS
101-86-0- 표준 SMILES
CCCCCC/C(C=O)=C\c1ccccc1- InChIKey
GUUHFMWKWLOQMM-NTCAYCPXSA-N- 분자식
- C15H20O
- 평균 분자량
- 216.32 g/mol
- 단동위원소 질량
- 216.15141526
개요
Alpha-hexylcinnamaldehyde is a member of the class of cinnamaldehydes carrying a hexyl substituent at the alpha-position. It is functionally related to an (E)-cinnamaldehyde.
이름 및 식별자
- 우선 이름
- alpha-Hexylcinnamaldehyde
- IUPAC
- (2E)-2-benzylideneoctanal
- 현지명
- 헥실신나믹알데히드
- 영어명
- alpha-Hexylcinnamaldehyde
- 분자식
- C15H20O
- 분자량
- 216.32
이름 및 동의어
alpha-Hexylcinnamaldehyde101-86-0(2E)-2-benzylideneoctanal2-Benzylideneoctanalalpha-Hexylcinnamic aldehydealpha-Hexylcinnamyl aldehydealpha-Hexyl-beta-phenylacroleinCHEBI:55365alpha-n-Hexyl-beta-phenylacroleinOctanal, 2-(phenylmethylene)-NSC-406799FEMA No. 2569
이름 더 보기
쟈스모날헥실신나믹알데히드헥실신나몰헥실 신나믹 알데히드헥실신남알HCAHEXYL CINNAMIC ALDEHYDEHEXYL CINNAMALJASMONAL Hα-HexylcinnamaldehydeFEMA 2569A-HEXYLCINNAMALDEHYDEalpha-Hexylzimtaldehyd2-(phenylmethylene)-Octanal
CINNAMALDEHYDE, alpha-HEXYL-hexyl cinnamaldehyde7X6O37OK2IRefChem:555734202-983-3165184-98-5HexylcinnamaldehydeHexylcinnamal
데이터베이스 식별자
- CAS
101-86-0、165184-98-5
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 211
실험 및 물리화학적 성질
CosmeticsCosmetics ingredient -> Base; Flavor; Fragrance; Moisturizing/Humectant; Opacifying Agent; Other (Specify); Preservative/Stabilizer
SpringerMaterials PropertiesSound absorption
Fragrances
Fragrance substance (alpha-Hexyl cinnamic aldehyde) -> IFRA amendment 49
Fragrance Ingredient (2-Hexyl-(E)-cinnamaldehyde) -> IFRA transparency List
Fragrance Ingredient (alpha-Hexylcinnamaldehyde) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.950-0.961
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; miscible in oils
miscible (in ethanol)
Boiling Point174-175 °C (15 mm Hg)
Melting Point4 °C
Refractive Index1.547-1.553
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for < 0.1% (2 of 2496) of reports.
Warning
H317 (99.6%): 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 2496 reports by companies from 37 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Regulatory Information
Chemical: Octanal, 2-(phenylmethylene)-
Hazard Traits - Fragrance Allergen
Regulation (EC) No 1831/2003 (amended)
Octanal, 2-(phenylmethylene)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octanal, 2-(phenylmethylene)- 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: 01-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/15843
2-Hexylcinnamaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Amyl and hexyl cinnamaldehyde: Human health tier II assessment
Hazard Classes and Categories
Skin Sens. 1 (99.6%)
Skin Sens. 1 (100%)
Skin irritation - category 2
Skin corrosion/irritation - Category 2
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- GD6560000
- ridadr
- UN 3265 8/PG 3
- 독성
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
U.S. Production2023: 25,000,000 - <40,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
IFRA Fragrance Standards
alpha-Hexyl cinnamic aldehyde
2-Benzylideneoctanal; Hexyl cinnamal; α-Hexyl cinnamaldehyde; Hexyl cinnamic aldehyde; α-n-Hexylcinnamic aldehyde; Hexyl cinnamyl; α-n-Hexyl-β-phenylacrolein; Octanal, 2-(phenylmethylene)-; Jasmonal H (commercial name)
IFRA_STD_040.pdf
49
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Household Products
Cosmetics product ingredient: 2-Benzylideneoctanal (HEXYL CINNAMAL)
Information on 832 consumer products that contain Hexyl Cinnamal in the following categories is provided:
Information on 123 consumer products that contain alpha-Hexylcinnamaldehyde, (2E)- in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Octanal, 2-(phenylmethylene)-: ACTIVE
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