2,4-ジメチル-3-シクロヘキセン-1-カルボアルデヒド

2,4-Dimethyl-3-cyclohexene carboxaldehyde

HCID 93375CAS 68039-49-6

基本情報

標準SMILES
CC1=CC(C)C(C=O)CC1
InChIKey
MZZRKEIUNOYYDF-UHFFFAOYSA-N
分子式
C9H14O
平均分子量
138.21 g/mol
単同位体質量
138.10446507

概要

See also: Vertocitral (annotation moved to).

名称と識別子

優先名称
2,4-Dimethyl-3-cyclohexene carboxaldehyde
IUPAC
2,4-dimethylcyclohex-3-ene-1-carbaldehyde
現地名
2,4-ジメチル-3-シクロヘキセン-1-カルボアルデヒド
英語名
2,4-Dimethyl-3-cyclohexenecarboxaldehyde
分子式
C9H14O
分子量
138.21

名称と別名

68039-49-6Ligustral2,4-Dimethylcyclohex-3-ene-1-carbaldehyde3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-TRIPLAL2,4-ivy carbaldehyde2,4-DIMETHYL-3-CYCLOHEXENE-1-CARBOXALDEHYDECyclal CTRICYCLALTRIPRALZESTOVER2,4-Dimethyl-3-cyclohexene carboxaldehyde
名称をさらに表示
2,4-ジメチル-3-シクロヘキセン-1-カルボアルデヒド2,4-ジメチルシクロヘキサ-3-エン-1-カルバルデヒドジェストベール2,4-ジメチルシクロヘキサ-3-エン-1-カルボキサルデヒド2,4-ジメチル-3-シクロヘキセンカルボキシアルデヒド2,4-ジメチル-3-シクロヘキセン-1-カルボキシアルデヒド (異性体混合物)2,4-ジメチル-3-シクロヘキセンカルボキサルデヒド2,4-DIMETHYL-3-CYCLOHEXEN-1-CARBOXALDEHYDEVergustral2,4-Dimethylcyclohex-3-en-1-carbaldehydAcrovalHivertalVertocinalCYCLOGREENAL
DTXSID5044574452GFV2AFSBELAL3-Cyclohexene-1-carboxaldehyde, 2,4(or 3,5)-dimethyl-DTXCID30245742,4-DIMETHYL-3-CYCLOHEXENYLCARBALDEHYDEEINECS 272-113-52,4(or 3,5)-Dimethylcyclohex-3-ene-1-carbaldehyde

データベース識別子

CAS
68039-49-6、68737-61-1
PubChem CID
93375
DTXSID
DTXSID5044574
ChEMBL
CHEMBL3185383
UNII
452GFV2AFS
EC Number
268-264-1
Nikkaji
J24.534H

物性

構造計算による物性

XLogP
1.4
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
1
重原子数
10

実験および物理化学的性質

CosmeticsTonic
Fragrances · 2 件

Fragrance Ingredient (2,4-Dimethyl-3-cyclohexen-1-carboxaldehyde) -> IFRA transparency List

Fragrance Ingredient (Dimethylcyclohex-3-ene-1-carbaldehyde (isomer mixture)) -> IFRA transparency List

Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionLiquid; Dry Powder; Liquid; CBI

物理化学的性質

融点
85 · 85-90 °C
沸点
196 °C · 196 °C(lit.)
比重(密度)
0.933 g/mL · 0.933 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.473(lit.)
闪点
151 °F · 151 °F
外見
clear liquid
化学的性質 · 1 件

化学的特性2,4-DIMETHYL-3-CYCLOHEXENECARBOXALDEHYDE is prepared as a mixture of its cis- and trans-isomers by a Diels–Alder reaction of 2-methyl-1,3-pentadiene and acrolein. It is a liquid with a strongly green, slightly herbaceous, citrus note. It is used for perfuming cosmetic preparations as well as household products.

安全と法規制

GHS分類

GHS Classification · 6 件

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)

This chemical does not meet GHS hazard criteria for 0.2% (4 of 2481) of reports.

Warning

H315 (99.8%): Causes skin irritation [Warning Skin corrosion/irritation]

危険有害性情報

Regulatory Information · 5 件

Chemical: 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-

Chemical: 3-Cyclohexene-1-carboxaldehyde, 2,4(or 3,5)-dimethyl-

3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl- 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)

3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Dimethylcyclohex-3-ene-1-carbaldehyde: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (99.8%)

Skin Sens. 1B

安全データ

wgk
2
tsca
TSCA listed
ridadr
NA 1993 / PGIII
hs_code
2912.29.6090
化審法
新規公示化学物質(2011年4月1日以降届出)

化学と産業

用途と製造

U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 254 consumer products that contain 2,4-Dimethyl-3-Cyclohexene Carboxaldehyde in the following categories is provided:
Use Classification · 3 件

Fragrance Ingredients

Fragrance Ingredients

Cosmetics -> Tonic

General Manufacturing Information · 3 件

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-: ACTIVE

3-Cyclohexene-1-carboxaldehyde, 2,4(or 3,5)-dimethyl-: ACTIVE

応用分野

使用2,4-Dimethyl-3-cyclohexenecarboxaldehyde is used in method for improving performance of fragrance or its mixture.

サプライヤー50 社

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

関連反応

18 件

関連ノート

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