메틸4-t-부틸벤조에이트

Benzoic acid, 4-(1,1-dimethylethyl)-, methyl ester

HCID 97433CAS 26537-19-9

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기본 정보

표준 SMILES: COC(=O)c1ccc(C(C)(C)C)cc1
InChIKey: UPIJOAFHOIWPLT-UHFFFAOYSA-N
분자식: C12H16O2
평균 분자량: 192.258 g/mol
단동위원소 질량: 192.11502975

이름 및 식별자

우선 이름: Benzoic acid, 4-(1,1-dimethylethyl)-, methyl ester
IUPAC: Methyl 4-tert-butylbenzoate
현지명: 메틸4-t-부틸벤조에이트
영어명: Methyl 4-tert-butylbenzoate
분자식: C12H16O2
분자량: 192.25

이름 및 동의어

메틸4-t-부틸벤조에이트RARECHEM AL BF 0269TIMTEC-BB SBB000305METHYL 4-T-BUTYLBENZOATEMethyl 4-tert-butylbenzoatMethyl p-tert-butylbenzoatebutylbenzoicacidmethylesterMETHYL 4-TERT-BUTYLBENZOATEMethyl 4-Tert-ButhylbenzoateMethyl4-tert-Butylbenzoate>4-tert-Butylbenzoic acid methyl

데이터베이스 식별자

CAS: 26537-19-9
PubChem CID: 97433
DTXSID: DTXSID10885360
UNII: 8VK4O27JMT
EC Number: 247-768-5
Nikkaji: J47.347B

물성

물리화학적 성질

끓는 점: 122 · 122-124 °C9 mm Hg(lit.)
밀도: 0.995 g/mL · 0.995 g/mL at 25 °C(lit.)
증기압: 1.36 hPa · 1.36hPa at 20℃
굴절률: 20 · n20/D 1.51(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 0.995 · 0.995
색상: 무색~황색으로 투명함
수용성: 35 mg/L · 35mg/L at 20℃
화장품 원료 기능: 향기향수향료
InChI: 1S/C12H16O2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3
InChIKey: UPIJOAFHOIWPLT-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(cc1)C(C)(C)C
LogP: 4.3 at · 4.3 at 25℃
NIST: 4 · 4-Tert-butylbenzoic acid methyl ester(26537-19-9)
EPA: 4 · Benzoic acid, 4-(1,1-dimethylethyl)-, methyl ester (26537-19-9)

화학적 성질

CLEAR COLOURLESS TO YELLOW LIQUID

안전 및 규제

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29163990
safety_code: 24/25
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Methyl 4-tert-butylbenzoate was used in the synthesis of tris(4-tert-butylphenyl)methyl chloride.

일반 설명Methyl 4-tert-butylbenzoate undergoes Claisen condensation reaction with 4-methoxyacetophenone to give avobenzone, an ingredient of sunscreen products.