메틸렌다이옥시페닐메틸프로판알

3-(3,4-Methylenedioxyphenyl)-2-methylpropanal

HCID 64805CAS 1205-17-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C=O)Cc1ccc2c(c1)OCO2
InChIKey
BOPPSUHPZARXTH-UHFFFAOYSA-N
분자식
C11H12O3
평균 분자량
192.21 g/mol
단동위원소 질량
192.07864424

개요

a widely used fragrance ingredient; structure in first source

이름 및 식별자

우선 이름
3-(3,4-Methylenedioxyphenyl)-2-methylpropanal
IUPAC
3-(1,3-benzodioxol-5-yl)-2-methylpropanal
현지명
메틸렌다이옥시페닐메틸프로판알
영어명
2-Methyl-3-(3,4-methylenedioxyphenyl)propanal
분자식
C11H12O3
분자량
192.21

이름 및 동의어

1205-17-0Helional2-Methyl-3-(3,4-Methylenedioxyphenyl)Propanal2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehydeTropionalHeliobouquetHelipropanal3-(3,4-methylenedioxyphenyl)-2-methylpropanalocean propanal1,3-Benzodioxole-5-propanal, .alpha.-methyl-DTXSID7043908UNII-L65EG8H6PA
이름 더 보기
메틸렌다이옥시페닐메틸프로판알FloramelonHelioganα-methyl-1,3-benzodioxole-5-propionaldehydealpha-methyl-1,3-benzodioxole-5-propionaldehydeHelional[IFF]1,3-Benzodioxole-5-propanal, α-methyl-
1,3-Benzodioxole-5-propanal, alpha-methyl-EINECS 214-881-6alpha-Methyl-3,4-methylene-dioxyhydrocinnamic aldehydeNSC 22282NSC-222823-(3,4-Methylenedioxyphenyl)-2-methyl-propanolalpha-Methyl-1,3-benzodioxole-5-propanal.alpha.-Methyl-3,4-methylenedioxy-hydrocinnamic aldehyde

데이터베이스 식별자

CAS
1205-17-0
PubChem CID
64805
DTXSID
DTXSID7043908
ChEMBL
CHEMBL3183457
UNII
L65EG8H6PA
EC Number
214-881-6
Nikkaji
J217.049C

물성

구조 계산 물성

XLogP
2.2
극성 표면적
35.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
14

실험 및 물리화학적 성질

Fragrances · 2건

Fragrance substance (alpha-Methyl-1,3-benzodioxole-5-propionaldehyde (MMDHCA)) -> IFRA amendment 49

Fragrance Ingredient (alpha-Methyl-1,3-benzodioxole-5-propionaldehyde) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.158-1.169
Solubility · 2건

Insoluble

soluble (in ethanol)

Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point134-135 °C

물리화학적 성질

끓는 점
282 °C · 282 °C(lit.)
밀도
1.162 g/mL · 1.162 g/mL at 25 °C(lit.)
증기압
0.092 Pa · 0.092Pa at 23℃
굴절률
20 · n20/D 1.5335(lit.)
FEMA
4599 · 4599 | 3-(3,4-METHYLENEDIOXYPHENYL)-2-METHYLPROPANAL
인화점
230 °F · >230 °F
화학적 성질 · 1건

2-Methyl-3-(3,4-methylenedioxyphenyl)propanal is a colorless to slightly yellow liquid, d204 1.159–1.167, n20D 1.531–1.536, with green, floral odor with top notes of ozone and newmown hay. It can be prepared either by condensation of heliotropin with propanal and subsequent partial hydrogenation of the intermediately formed unsaturated aldehyde or by Lewis catalyzed reaction of 1,2-methylenedioxybenzene with methacrolein diacetate followed by saponification of the corresponding enol acetate . The title compound can be used in perfumes for toiletries, for example, shaving creams and detergents.

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

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

Warning

H317 (42.3%): 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)

유해성 정보

Regulatory Information · 4건

Chemical: 1,3-Benzodioxole-5-propanal, .alpha.-methyl-

1,3-Benzodioxole-5-propanal, .alpha.-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzodioxole-5-propanal, .alpha.-methyl- 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: 09-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/20444

Helional: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 3건

Skin Sens. 1 (42.3%)

Skin sensitization - Category 1B

Skin Sens. 1B

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
DF4922185
HS 번호
29124990
risk_code
36/37/38
hazard_code
Xi

화학 및 산업

용도 및 제조

U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
IFRA Fragrance Standards · 6건

alpha-Methyl-1,3-benzodioxole-5-propionaldehyde (MMDHCA)

1,3-Benzodioxole-5-propanal, α-methyl-; 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal; 2-Methyl-3-(3,4-methylenedioxyphenyl)- propionaldehyde; 2-Methyl-3-(3,4-methylenedioxyphenyl)propanal; α-Methyl-3,4-(methylenedioxy)-hydrocinnamaldehyde; α-Methyl-1,3-benzodioxole-5-propanal; α-Methyl-1,3-benzodioxole-5-propionaldehyde; 3-(3,4-Methylenedioxyphenyl)-2-methylpropanal; α-Methyl-3,4-methylene-dioxyhydrocinnamic aldehyde; Heliofolal (commercial name); Heliogan (commercial name); Helional (commercial name); Tropional (commercial name)

IFRA_STD_059.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 ProductsInformation on 81 consumer products that contain Methylenedioxyphenyl Methylpropanal in the following categories is provided:
Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

응용 분야

용도2-Methyl-3-(3,4-methylenedioxyphenyl)-propanal is an aromatic aldehyde that was used in the investigation of human olfactory receptor 17-40 as an active part of a nanobiosensor.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

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