CAS 1686-14-2 alpha-Pinene oxide (HCID 91508)

기본 정보

CAS: 1686-14-2
표준 SMILES: CC1(C)C2CC3OC3(C)C1C2
InChIKey: NQFUSWIGRKFAHK-UHFFFAOYSA-N
분자식: C10H16O
평균 분자량: 152.237 g/mol
단동위원소 질량: 152.12011513

이름 및 식별자

우선 이름: alpha-Pinene oxide
IUPAC: 2,7,7-Trimethyl-3-oxatricyclo[4.1.1.0~2,4~]octane
현지명: 알파-파이넨 옥사이드
영어명: alpha-Pinene oxide
분자식: C10H16O
분자량: 152.23

이름 및 동의어

알파-파이넨 옥사이드3-Oxatricyclo[4.1.1.0(2,4)]octane, 2,7,7-trimethyl-2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octaneNsc56092-pineneoxideα-Epoxypinanea-PineneOxideAURORA KA-478α-pineneoxide2,3-EPOXYPINANE2,3-epoxy-pinan

데이터베이스 식별자

CAS: 1686-14-2、19894-99-6、74525-43-2
PubChem CID: 91508
DTXSID: DTXSID5051781
ChEMBL: CHEMBL274511
ChEBI: CHEBI:29060
EC Number: 216-869-6、243-411-2
Nikkaji: J77.231C

물성

물리화학적 성질

끓는 점: 102 · 102-103 °C/50 mmHg (lit.)
밀도: 0.964 g/mL · 0.964 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.469(lit.)
인화점: 150 °F · 150 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(적당), 디클로로메탄(적당), 에탄올(약간 용해됨)
물리적 상태: 기름
색상: 무색
Specific Gravity: 0.97 · 0.97
Henry's Law Constant: 2.3 · 2.3×10-2 mol/(m3Pa) at 25℃, Fichan et al. (1999)
안정성: 수분에 민감한
InChI: 1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3/t6-,7-,8,10/m1/s1
InChIKey: NQFUSWIGRKFAHK-BGPATTHWSA-N
SMILES: CC1(C)[C@H]2CC3OC3(C)[C@@H]1C2
LogP: 2.339 · 2.339 (est)
EPA: 3 · 3-Oxatricyclo[4.1.1.02,4]octane, 2,7,7-trimethyl- (1686-14-2)

안전 및 규제

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: TK4565000
ridadr: 2810
HS 번호: 2910.90.9100
포장분류: III
위험 등급: 6.1
기존화학 물질: 2000-3-1415
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도An industrially important reaction of optically active a-pinene oxide is rearrangement to campholene aldehyde (e.g., in the presence of zinc bromide). Subsequent aldol condensation with lower aliphatic aldehydes or ketones (e.g., propionaldehyde, butyraldehyde, or acetone) provides unsaturated aldehydes or ketones that can be reduced to the corresponding saturated alcohols. These are used in the fragrance industry as a sandalwood scent.