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HCID 62002作成日：2026年11月3日

(Z)-1-(2,6,6-トリメチル-2-シクロヘキセン-1-イル)-2-ブテン-1-オン

(Z)-1-(2,6,6-トリメチル-2-シクロヘキセン-1-イル)-2-ブテン-1-オン · (Z)-alpha-damascone · CIS-ALPHA-DAMASCONE · Methyl Turkic Ketone · cis-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-Buten-1-one · (Z)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one · (Z)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one · 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-cis-2-Buten-1-one

https://huagongshe.com/ja/chemical/62002

(Z)-1-(2,6,6-トリメチル-2-シクロヘキセン-1-イル)-2-ブテン-1-オンの分子構造式

識別子と物理属性

CAS No.	23726-94-5
分子式	C13H20O
平均分子量	192.3 g/mol
単同位体質量	192.15141526 g/mol
SMILES	CC=CC(=O)C1C(C)=CCCC1(C)C
InChIKey	CRIGTVCBMUKRSL-UHFFFAOYSA-N
PubChem CID	62002
EC No.	245-845-8
DTXSID	DTXSID0052097
現地名	(Z)-1-(2,6,6-トリメチル-2-シクロヘキセン-1-イル)-2-ブテン-1-オン

化学・物理的性質

XLogP	3.2
極性表面積	17.1
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	2
重原子数	14
形式電荷	0
複雑度	282
化粧品	Masking
香料	Fragrance Ingredient (cis-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-Buten-1-one) -> IFRA transparency List
Physical Description	CBI
沸点	267.1±29.0 °C(Predicted)
密度	0.898±0.06 g/cm3(Predicted)
臭い	ジプロピレングリコール中1.00%。フローラルローズアップルフルーティー
においのタイプ	花柄
化粧品成分の機能	香料香料
LogP（分配係数）	3.436 (est)
EPAの化学物質情報	2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2Z)- (23726-94-5)

安全性と法規制

GHS 分類	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 275 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302: Harmful if swallowed [Warning Acute toxicity, oral]
規制情報	Chemical: 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (Z)-2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)- 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)2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)-: 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.
その他の安全情報	IMAP assessments - Damascones: Human health tier II assessment
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin sensitisation - category 1
TSCA 収載状態	TSCA listed

(Z)-1-(2,6,6-トリメチル-2-シクロヘキセン-1-イル)-2-ブテン-1-オン

識別子と物理属性

CAS No.

23726-94-5

分子式

C13H20O

平均分子量

192.3 g/mol

単同位体質量

192.15141526 g/mol

SMILES

CC=CC(=O)C1C(C)=CCCC1(C)C

InChIKey

CRIGTVCBMUKRSL-UHFFFAOYSA-N

PubChem CID

62002

EC No.

245-845-8

DTXSID

DTXSID0052097

現地名

(Z)-1-(2,6,6-トリメチル-2-シクロヘキセン-1-イル)-2-ブテン-1-オン

化学・物理的性質

XLogP

3.2

極性表面積

17.1

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

282

化粧品

Masking

香料

Fragrance Ingredient (cis-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-Buten-1-one) -> IFRA transparency List

Physical Description

CBI

沸点

267.1±29.0 °C(Predicted)

密度

0.898±0.06 g/cm3(Predicted)

臭い

ジプロピレングリコール中1.00%。フローラルローズアップルフルーティー

においのタイプ

花柄

化粧品成分の機能

香料香料

LogP（分配係数）

3.436 (est)

EPAの化学物質情報

2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2Z)- (23726-94-5)

安全性と法規制

GHS 分類

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 275 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302: Harmful if swallowed [Warning Acute toxicity, oral]

規制情報

Chemical: 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (Z)-2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)- 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)2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)-: 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.

その他の安全情報

IMAP assessments - Damascones: Human health tier II assessment

Hazard Classes and Categories

Acute Tox. 4 (100%)Skin sensitisation - category 1

TSCA 収載状態

TSCA listed