Hexahydro-3-methylphthalic anhydride

HCID 92666
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기본 정보

CAS
53319-73-6
표준 SMILES
CC1CCCC2C(=O)OC(=O)C12
InChIKey
QXBYUPMEYVDXIQ-UHFFFAOYSA-N
분자식
C9H12O3
평균 분자량
168.19 g/mol
단동위원소 질량
168.07864424

이름 및 식별자

우선 이름
Hexahydro-3-methylphthalic anhydride
IUPAC
4-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione

이름 및 동의어

Hexahydro-3-methylphthalic anhydrideRefChem:7861444-Methylhexahydroisobenzofuran-1,3-dione4-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione53319-73-64-methyl-octahydro-2-benzofuran-1,3-dioneSCHEMBL266400orb3145266DTXSID7029378NSC225257TYD-04612NSC-225257
이름 더 보기
4-methylhexahydro-2-benzofuran-1,3-dioneHexahydro-4-methyl-1,3-isobenzofurandioneDB-304815NS00020667G766243-Methyl-1,2-cyclohexanedicarboxylic acid anhydride

데이터베이스 식별자

CAS
53319-73-6、57110-29-9
PubChem CID
92666
DTXSID
DTXSID7029378
EC Number
260-566-1
Nikkaji
J147.414F

물성

구조 계산 물성보충 중

XLogP
1.6
극성 표면적
43.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
12

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]；H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Danger

유해성 정보

Regulatory Information · 2건

Hazard Traits - Respiratory Toxicity；Authoritative List - EC Annex VI Resp. Sens. - Cat. 1；Report - if used as a fragrance or flavor ingredient

Substance: Hexahydro-3-methylphthalic anhydride；EC: 260-566-1；Date of inclusion: >19-Dec-2012；Reason for inclusion: Respiratory sensitising properties (Article 57(f) - human health)

Hazard Classes and Categories · 3건

Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；Resp. Sens. 1 (100%)

Eye damage - category 1；Respiratory sensitisation - category 1；Skin sensitisation - category 1

Eye Dam. 1；Resp. Sens. 1；Skin Sens. 1

규제 정보

Regulatory Information · 2건

Hazard Traits - Respiratory Toxicity；Authoritative List - EC Annex VI Resp. Sens. - Cat. 1；Report - if used as a fragrance or flavor ingredient

Substance: Hexahydro-3-methylphthalic anhydride；EC: 260-566-1；Date of inclusion: >19-Dec-2012；Reason for inclusion: Respiratory sensitising properties (Article 57(f) - human health)

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